CID 20355531

2,2,3-trifluoropropanoic acid

Structural Information

Molecular Formula
C3H3F3O2
SMILES
C(C(C(=O)O)(F)F)F
InChI
InChI=1S/C3H3F3O2/c4-1-3(5,6)2(7)8/h1H2,(H,7,8)
InChIKey
RUDQPWNLKJLFJL-UHFFFAOYSA-N
Compound name
2,2,3-trifluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

503
Patents

128.00851 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01579 117.1
[M+Na]+ 150.99773 125.7
[M-H]- 127.00123 112.6
[M+NH4]+ 146.04233 138.4
[M+K]+ 166.97167 125.2
[M+H-H2O]+ 111.00577 111.1
[M+HCOO]- 173.00671 135.3
[M+CH3COO]- 187.02236 167.9
[M+Na-2H]- 148.98318 123.0
[M]+ 128.00796 112.6
[M]- 128.00906 112.6
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.