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

89
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 124.9
[M+Na]+ 161.03846 131.7
[M-H]- 137.04196 121.3
[M+NH4]+ 156.08306 145.6
[M+K]+ 177.01240 131.7
[M+H-H2O]+ 121.04650 119.0
[M+HCOO]- 183.04744 143.1
[M+CH3COO]- 197.06309 172.6
[M+Na-2H]- 159.02391 127.0
[M]+ 138.04869 121.6
[M]- 138.04979 121.6
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