CID 6422

Trifluoroacetic acid

Structural Information

Molecular Formula
C2HF3O2
SMILES
C(=O)(C(F)(F)F)O
InChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
DTQVDTLACAAQTR-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4694
References

130984
Patents

113.99287 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.00015 112.5
[M+Na]+ 136.98209 121.6
[M-H]- 112.98559 108.3
[M+NH4]+ 132.02669 134.4
[M+K]+ 152.95603 121.4
[M+H-H2O]+ 96.990130 106.8
[M+HCOO]- 158.99107 131.1
[M+CH3COO]- 173.00672 164.2
[M+Na-2H]- 134.96754 118.9
[M]+ 113.99232 107.5
[M]- 113.99342 107.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.