Gas‐Phase F‐Atom Migration Reactions of Perfluoroalkyl and Polyfluoroalkyl Sulfonic/Sulfinic Anions
Theoretical calculations of gas-phase reactions CF<sub>3</sub>SO<sub>3</sub> <sup>-</sup> → FSO<sub>3</sub> <sup>-</sup> + CF<sub>2</sub> and CF<sub>3</sub>SO<sub>2</sub> <sup>-</sup> → FSO<sub>2</sub> <sup>-</sup> + CF<sub>2</sub> were performed to investigate the possible F-atom migration mechanisms. These results show that FSO<sub>3</sub> <sup>-</sup> at m/z 99 and/or FSO<sub>2</sub> <sup>-</sup> at m/z 83 could serve as diagnostic ions for structural elucidation of perfluoroalkyl and polyfluoroalkyl sulfonic/sulfinic acids and their derivatives in non-target PFASs analyses by using mass spectrometry.
Authors
- Hao‐yang Wang
- L. S. Ling
- Ping Xing
- Qingqin Liu
- Xiaobao Lv
- Chaojun Li
Institutions
- University of Shanghai for Science and Technology (CN)
- Shanghai Municipal Human Resources and Social Security Bureau (CN)
- Shanghai Institute of Organic Chemistry (CN)
- Shanghai Public Security Bureau (CN)
Publication Details
- Journal
- Rapid Communications in Mass Spectrometry
- Published
- 2026-01-15
- DOI
- https://doi.org/10.1002/rcm.70035
- Primary Topic
- Per- and polyfluoroalkyl substances research
- Type
- article
- Field-Weighted Citation Impact
- 0.00