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Trifluoroacetic acid
SpectraBase Compound ID 4G3cv2HmDfG
InChI InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey DTQVDTLACAAQTR-UHFFFAOYSA-N
Mol Weight 114.023 g/mol
Molecular Formula C2HF3O2
Exact Mass 113.992864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sgTV7QmSH1
Name Trifluoroacetic acid
CAS Registry Number 76-05-1
Classification Chemical Derivat. agent
Comments Original RI info: <1000*
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Exact Mass 113.992863759 u
Formula C2HF3O2
InChI InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey DTQVDTLACAAQTR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 114.023 g/mol
SMILES C(C(=O)O)(F)(F)F
SPLASH splash10-0fr2-9000000000-843336cf529c26ac769d
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5547