| SpectraBase Spectrum ID |
DoQF4Ri5F4K |
| Name |
Pentafluorobenzoic acid |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
211.989670085 u |
| Formula |
C7HF5O2 |
| InChI |
InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14) |
| InChIKey |
YZERDTREOUSUHF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
212.075 g/mol |
| Nominal Mass |
212 u |
| Quality |
991 |
| Retention Index |
1188 |
| SMILES |
OC(C1=C(C(=C(C(=C1F)F)F)F)F)=O |
| SPLASH |
splash10-00kb-9810000000-eff0e95034938971de7f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,3,4,5,6-pentafluorobenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004505 |
