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]+ 139.05652 123.4
[M+Na]+ 161.03846 131.7
[M-H]- 137.04196 121.5
[M+NH4]+ 156.08306 145.3
[M+K]+ 177.01240 132.1
[M+H-H2O]+ 121.04650 117.9
[M+HCOO]- 183.04744 143.6
[M+CH3COO]- 197.06309 173.2
[M+Na-2H]- 159.02391 129.4
[M]+ 138.04869 122.8
[M]- 138.04979 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.