CID 13572114

Ethyl 2-fluoro-3-hydroxypropanoate

Structural Information

Molecular Formula
C5H9FO3
SMILES
CCOC(=O)C(CO)F
InChI
InChI=1S/C5H9FO3/c1-2-9-5(8)4(6)3-7/h4,7H,2-3H2,1H3
InChIKey
OJWDFJSPDAOXMZ-UHFFFAOYSA-N
Compound name
ethyl 2-fluoro-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

136.05357 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.06085 125.4
[M+Na]+ 159.04279 132.5
[M-H]- 135.04629 123.2
[M+NH4]+ 154.08739 146.5
[M+K]+ 175.01673 133.0
[M+H-H2O]+ 119.05083 120.3
[M+HCOO]- 181.05177 145.9
[M+CH3COO]- 195.06742 170.2
[M+Na-2H]- 157.02824 129.4
[M]+ 136.05302 125.5
[M]- 136.05412 125.5
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