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 127.9
[M+Na]+ 177.03336 134.8
[M-H]- 153.03686 124.3
[M+NH4]+ 172.07796 148.0
[M+K]+ 193.00730 135.3
[M+H-H2O]+ 137.04140 121.8
[M+HCOO]- 199.04234 146.3
[M+CH3COO]- 213.05799 173.9
[M+Na-2H]- 175.01881 130.0
[M]+ 154.04359 126.0
[M]- 154.04469 126.0
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.