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

25
Patents

122.037926 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.045202 120.7
[M+Na]+ 145.027144 128.2
[M-H]- 121.030650 118.6
[M+NH4]+ 140.071749 142.3
[M+K]+ 161.001084 128.9
[M+H-H2O]+ 105.035186 115.7
[M+HCOO]- 167.036127 141.5
[M+CH3COO]- 181.051777 167.2
[M+Na-2H]- 143.012592 125.2
[M]+ 122.03737742 120.3
[M]- 122.03847458 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