CID 3013882

3-fluoro-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C3H5FO3
SMILES
C(C(C(=O)O)O)F
InChI
InChI=1S/C3H5FO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)
InChIKey
UYIAUFVPRSSBGY-UHFFFAOYSA-N
Compound name
3-fluoro-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

108.02227 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.029546 116.7
[M+Na]+ 131.011488 124.1
[M-H]- 107.014994 113.3
[M+NH4]+ 126.056093 138.0
[M+K]+ 146.985428 124.1
[M+H-H2O]+ 91.019530 112.1
[M+HCOO]- 153.020471 136.3
[M+CH3COO]- 167.036121 162.2
[M+Na-2H]- 128.996936 121.2
[M]+ 108.02172142 114.1
[M]- 108.02281858 114.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe