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

9538
Patents

163.98967 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.996946 121.7
[M+Na]+ 186.978888 130.9
[M-H]- 162.982394 114.9
[M+NH4]+ 182.023493 141.4
[M+K]+ 202.952828 130.0
[M+H-H2O]+ 146.986930 114.5
[M+HCOO]- 208.987871 136.2
[M+CH3COO]- 223.003521 173.6
[M+Na-2H]- 184.964336 127.2
[M]+ 163.98912142 113.8
[M]- 163.99021858 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

literature stripe

Patent stripe

patents stripe