CID 62356

Pentafluoropropionic acid

Structural Information

Molecular Formula
C3HF5O2
SMILES
C(=O)(C(C(F)(F)F)(F)F)O
InChI
InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChIKey
LRMSQVBRUNSOJL-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

62
References

9485
Patents

163.98967 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99695 121.7
[M+Na]+ 186.97889 130.9
[M-H]- 162.98239 114.9
[M+NH4]+ 182.02349 141.4
[M+K]+ 202.95283 130.0
[M+H-H2O]+ 146.98693 114.5
[M+HCOO]- 208.98787 136.2
[M+CH3COO]- 223.00352 173.6
[M+Na-2H]- 184.96434 127.2
[M]+ 163.98912 113.8
[M]- 163.99022 113.8
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.