| SpectraBase Spectrum ID |
FMdmYg9DjUP |
| Name |
PFCA-perfluoroalkyl-standards-Multiple_Y |
| Classification |
Perfluoroalkyl carboxylic acid/perfluoroalkyl carboxylate (PFCA) |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.983282737 u |
| Formula |
C5HF9O2 |
| InChI |
InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16) |
| InChIKey |
CXZGQIAOTKWCDB-UHFFFAOYSA-N |
| Ion Polarity |
N |
| Literature Reference |
Koelmel, J. P.; Stelben, P.; McDonough, C. A.; Dukes, D. A.; Aristizabal-Henao, J. J.; Nason, S. L.; Yang, L.; Sternberg, S.; Lin, E. Z.; Beckmann, M.; Williams, A. J.; Draper, J.; Finch, J.; Munk, J.; Deigl, C.; Rennie, E. E.; Bowden, J. A.; Godri, K. J. FluoroMatch 2.0—Making Automated and Comprehensive Non-Targeted PFAS Annotation a Reality. Analytical and Bioanalytical Chemistry 2021, 414 (3), 1201–1215. |
| Literature Reference DOI |
10.1007/s00216-021-03392-7 |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
262.976 |
| SMILES |
OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| Sample Comments |
Built using spectra from authentic standards and literature, multiple standards were implemented |
| Synonyms |
Perfluorocarboxylic acid-perfluoroalkyl |
