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2,5-Difluorobenzoic acid
SpectraBase Compound ID sEjehG3fzc
InChI InChI=1S/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey LBQMIAVIGLLBGW-UHFFFAOYSA-N
Mol Weight 158.1 g/mol
Molecular Formula C7H4F2O2
Exact Mass 158.017936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GV9cIDTFmfQ
Name 2,5-Difluorobenzoic acid
CAS Registry Number 393-52-2
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 158.017935693 u
Formula C7H4F2O2
InChI InChI=1S/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey LBQMIAVIGLLBGW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 158.104 g/mol
Nominal Mass 158 u
Quality 990
Retention Index 1223
SMILES OC(C=1C(=CC=C(C1)F)F)=O
SPLASH splash10-08fu-5900000000-216f5b4848ea26e83a7f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,5-difluorobenzoic acid
Technique GC/MS
Wiley ID DD2024_005426