CID 23423163

4,4,5,5,5-pentafluoropentanoic acid

Structural Information

Molecular Formula
C5H5F5O2
SMILES
C(CC(C(F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C5H5F5O2/c6-4(7,5(8,9)10)2-1-3(11)12/h1-2H2,(H,11,12)
InChIKey
HHSIXPRDVJARSI-UHFFFAOYSA-N
Compound name
4,4,5,5,5-pentafluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

192.02097 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02825 152.6
[M+Na]+ 215.01019 156.4
[M+NH4]+ 210.05479 154.7
[M+K]+ 230.98413 153.8
[M-H]- 191.01369 143.8
[M+Na-2H]- 212.99564 151.2
[M]+ 192.02042 150.1
[M]- 192.02152 150.1
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

patents stripe