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Title: Exploration of the utility of CF<inf>3</inf><sup>+</sup> as a reagent for chemical ionisation reaction mass spectrometry
Authors: Blake, Robert S.
Ouheda, Saleh A.
Alwedi, Embarek F.
Monks, Paul S.
First Published: 21-Jul-2017
Publisher: Elsevier
Citation: International Journal of Mass Spectrometry, 2017
Abstract: The utility of CF 3 + as a chemical-ionisation reagent for the identification of volatile organic compounds (VOCs) is explored. CF 3 + and CF 2 H + , produced from the discharge of CF 4 , have been used as chemical ionization (CI) precursor ions with a representative functional mixture of VOCs in Chemical Ionisation Reaction Mass Spectrometry (CIR-MS), a multi-reagent analogue of PTR-MS.Reacting CF 3 + with a functionally varied range of VOCs, under 100Td and 120Td accelerating electric fields (E/N), produced markedly different fragmentation patterns. Whereas hydride ion transfer was found to be the main reaction mechanism with n-alkanes. CF 3 + acts as a Lewis acid, a strong electrophile with aromatics and nitriles. In VOCs with carbonyl groups, CF 3 + forms an intermediate complex leading to the substitution of oxygen by fluorine. Target VOCs with longer alkyl chains in general show greater fragmentation, starting at C 5 and becoming progressively more significant by C 7 .A brief comparison is made with the comparable H 3 O + reactivity. From the comparison between CF 3 + and H 3 O + , it is clear that CF 3 + is a "more aggressive" reagent ion but offers utility in terms of distinctive mass shifts with certain functional groups.
DOI Link: 10.1016/j.ijms.2017.07.012
ISSN: 1387-3806
Embargo on file until: 21-Jul-2018
Version: Post-print
Status: Peer-reviewed
Type: Journal Article
Rights: Copyright © 2017, Elsevier. Deposited with reference to the publisher’s open access archiving policy.
Description: Supplementary data associated with this article can be found, in the online version, at
The file associated with this record is under embargo until 12 months after publication, in accordance with the publisher's self-archiving policy. The full text may be available through the publisher links provided above.
Appears in Collections:Published Articles, College of Science and Engineering

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