CID 53484497

4,4-difluoro-2-methylbutanoic acid

Structural Information

Molecular Formula
C5H8F2O2
SMILES
CC(CC(F)F)C(=O)O
InChI
InChI=1S/C5H8F2O2/c1-3(5(8)9)2-4(6)7/h3-4H,2H2,1H3,(H,8,9)
InChIKey
FQJMZYJZHKJOHM-UHFFFAOYSA-N
Compound name
4,4-difluoro-2-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

138.04924 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05652 129.3
[M+Na]+ 161.03846 136.5
[M+NH4]+ 156.08306 134.8
[M+K]+ 177.01240 133.5
[M-H]- 137.04196 124.4
[M+Na-2H]- 159.02391 130.2
[M]+ 138.04869 128.4
[M]- 138.04979 128.4
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