CID 53415982

Methyl 2-fluoro-3-hydroxypropanoate

Structural Information

Molecular Formula
C4H7FO3
SMILES
COC(=O)C(CO)F
InChI
InChI=1S/C4H7FO3/c1-8-4(7)3(5)2-6/h3,6H,2H2,1H3
InChIKey
GUEGCFMMLFMGAJ-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

122.037926 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.04520 120.7
[M+Na]+ 145.02714 128.2
[M-H]- 121.03065 118.6
[M+NH4]+ 140.07175 142.3
[M+K]+ 161.00108 128.9
[M+H-H2O]+ 105.03519 115.7
[M+HCOO]- 167.03613 141.5
[M+CH3COO]- 181.05178 167.2
[M+Na-2H]- 143.01259 125.2
[M]+ 122.03738 120.3
[M]- 122.03847 120.3
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