CID 80611457

Methyl 3,3-difluoro-2-hydroxypropanoate

Structural Information

Molecular Formula
C4H6F2O3
SMILES
COC(=O)C(C(F)F)O
InChI
InChI=1S/C4H6F2O3/c1-9-4(8)2(7)3(5)6/h2-3,7H,1H3
InChIKey
MQFYYUKBZWPEDS-UHFFFAOYSA-N
Compound name
methyl 3,3-difluoro-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

140.0285 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03578 123.1
[M+Na]+ 163.01772 130.4
[M-H]- 139.02122 119.7
[M+NH4]+ 158.06232 143.8
[M+K]+ 178.99166 131.1
[M+H-H2O]+ 123.02576 117.2
[M+HCOO]- 185.02670 141.9
[M+CH3COO]- 199.04235 170.9
[M+Na-2H]- 161.00317 125.8
[M]+ 140.02795 120.9
[M]- 140.02905 120.9
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