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Pentafluoropropionic acid
SpectraBase Compound ID JSNx6EfxlY2
InChI InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChIKey LRMSQVBRUNSOJL-UHFFFAOYSA-N
Mol Weight 164.031 g/mol
Molecular Formula C3HF5O2
Exact Mass 163.98967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYdeMvuoy7E
Name Pentafluoropropionic acid
CAS Registry Number 431-27-6
Classification Derivatizing agent
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 163.989670085 u
Formula C3HF5O2
InChI InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChIKey LRMSQVBRUNSOJL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 164.031 g/mol
Nominal Mass 164 u
Quality 932
Retention Index 1078
SMILES OC(C(C(F)(F)F)(F)F)=O
SPLASH splash10-0gba-9500000000-60b4d8a22c7e515ae02f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,2,3,3,3-Pentafluoropropanoic acid
Technique GC/MS
Wiley ID DD2024_010680