| SpectraBase Compound ID | 5zmzsEFYk8F |
|---|---|
| InChI | InChI=1S/C4H5F5O/c5-3(6,1-2-10)4(7,8)9/h10H,1-2H2 |
| InChIKey | JPMHUDBOKDBBLG-UHFFFAOYSA-N |
| Mol Weight | 164.08 g/mol |
| Molecular Formula | C4H5F5O |
| Exact Mass | 164.026056 g/mol |
Mass Spectrum (LC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9LWK7bscvDJ |
|---|---|
| Name | FT-OH-standards-Multiple_N |
| Classification | Fluorotelomer substance (FT) |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.026055595 u |
| Formula | C4H5F5O |
| InChI | InChI=1S/C4H5F5O/c5-3(6,1-2-10)4(7,8)9/h10H,1-2H2 |
| InChIKey | JPMHUDBOKDBBLG-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 | 163.019 |
| SMILES | OCCC(F)(F)C(F)(F)F |
| Sample Comments | Built using spectra from authentic standards and literature, one standard for a given lipid class was obtained |
| Synonyms | Fluorinated telomeric alcohol |