CID 71656132

1447671-66-0

Structural Information

Molecular Formula
C5H8F2O2
SMILES
CC(CC(=O)OC)(F)F
InChI
InChI=1S/C5H8F2O2/c1-5(6,7)3-4(8)9-2/h3H2,1-2H3
InChIKey
WALSLQZTQAFCSA-UHFFFAOYSA-N
Compound name
methyl 3,3-difluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.04924 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.056516 123.4
[M+Na]+ 161.038458 131.7
[M-H]- 137.041964 121.5
[M+NH4]+ 156.083063 145.3
[M+K]+ 177.012398 132.1
[M+H-H2O]+ 121.046500 117.9
[M+HCOO]- 183.047441 143.6
[M+CH3COO]- 197.063091 173.2
[M+Na-2H]- 159.023906 129.4
[M]+ 138.04869142 122.8
[M]- 138.04978858 122.8
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

No patent data available for this compound.