CID 55302549

5,5-difluoropentanoic acid

Structural Information

Molecular Formula
C5H8F2O2
SMILES
C(CC(F)F)CC(=O)O
InChI
InChI=1S/C5H8F2O2/c6-4(7)2-1-3-5(8)9/h4H,1-3H2,(H,8,9)
InChIKey
PNKPJTJUUYPYGY-UHFFFAOYSA-N
Compound name
5,5-difluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

138.04924 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.056516 124.8
[M+Na]+ 161.038458 131.9
[M-H]- 137.041964 121.2
[M+NH4]+ 156.083063 145.6
[M+K]+ 177.012398 131.4
[M+H-H2O]+ 121.046500 118.8
[M+HCOO]- 183.047441 144.0
[M+CH3COO]- 197.063091 171.7
[M+Na-2H]- 159.023906 128.2
[M]+ 138.04869142 122.2
[M]- 138.04978858 122.2
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