SpectraBase Spectrum ID |
JEp4qpW0Zqy |
Name |
2,6-Difluorobenzoic acid |
CAS Registry Number |
385-00-2 |
Classification |
Chemical |
Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
158.017935693 u |
Formula |
C7H4F2O2 |
InChI |
InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11) |
InChIKey |
ONOTYLMNTZNAQZ-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
158.104 g/mol |
Nominal Mass |
158 u |
Quality |
989 |
Retention Index |
1224 |
SMILES |
OC(C1=C(C=CC=C1F)F)=O |
SPLASH |
splash10-06r6-6900000000-c2317d6c7f0ee34190c0 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2,6-difluorobenzoic acid |
Technique |
GC/MS |
Wiley ID |
DD2024_004985 |