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2-Chloro-3,3,3-trifluoropropanoic acid
SpectraBase Compound ID 2roj6ako4RX
InChI InChI=1S/C3H2ClF3O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9)
InChIKey BBKMLWLNFXQLNE-UHFFFAOYSA-N
Mol Weight 162.5 g/mol
Molecular Formula C3H2ClF3O2
Exact Mass 161.969541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID i6f3qtE6b7
Name 2-Chloro-3,3,3-trifluoropropanoic acid
CAS Registry Number 110230-36-9
Comments Less than 3 mono-isotopic peaks
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Formula C3H2ClF3O2
InChI InChI=1S/C3H2ClF3O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9)
InChIKey BBKMLWLNFXQLNE-UHFFFAOYSA-N
Molecular Weight 162.495 g/mol
SMILES OC(C(C(F)(F)F)Cl)=O
SPLASH splash10-0002-9000000000-92296f0f43f8f67a2525
Source of Spectrum KC-1987-1864-19
Synonyms 2-chloro-3,3,3-trifluoro-propanoic acid 2-chloranyl-3,3,3-tris(fluoranyl)propanoic acid
Wiley ID 1158001