CID 165630363

Methyl 4,4-difluoro-2-hydroxybutanoate

Structural Information

Molecular Formula
C5H8F2O3
SMILES
COC(=O)C(CC(F)F)O
InChI
InChI=1S/C5H8F2O3/c1-10-5(9)3(8)2-4(6)7/h3-4,8H,2H2,1H3
InChIKey
ZNHMVDKEPIKBLM-UHFFFAOYSA-N
Compound name
methyl 4,4-difluoro-2-hydroxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.04414 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05142 132.2
[M+Na]+ 177.03336 138.9
[M+NH4]+ 172.07796 137.1
[M+K]+ 193.00730 136.4
[M-H]- 153.03686 126.8
[M+Na-2H]- 175.01881 132.6
[M]+ 154.04359 131.0
[M]- 154.04469 131.0
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.