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

87
Patents

138.04924 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05652 124.8
[M+Na]+ 161.03846 131.9
[M-H]- 137.04196 121.2
[M+NH4]+ 156.08306 145.6
[M+K]+ 177.01240 131.4
[M+H-H2O]+ 121.04650 118.8
[M+HCOO]- 183.04744 144.0
[M+CH3COO]- 197.06309 171.7
[M+Na-2H]- 159.02391 128.2
[M]+ 138.04869 122.2
[M]- 138.04979 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