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

95
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 131.3
[M+Na]+ 215.01019 139.7
[M-H]- 191.01369 124.1
[M+NH4]+ 210.05479 149.9
[M+K]+ 230.98413 138.3
[M+H-H2O]+ 175.01823 123.7
[M+HCOO]- 237.01917 145.2
[M+CH3COO]- 251.03482 179.6
[M+Na-2H]- 212.99564 135.8
[M]+ 192.02042 124.2
[M]- 192.02152 124.2
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