CID 564951

2-chloro-3-hydroxypropionic acid

Structural Information

Molecular Formula
C3H5ClO3
SMILES
C(C(C(=O)O)Cl)O
InChI
InChI=1S/C3H5ClO3/c4-2(1-5)3(6)7/h2,5H,1H2,(H,6,7)
InChIKey
GAHMZBZGINHHJR-UHFFFAOYSA-N
Compound name
2-chloro-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

123.99272 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.999996 118.5
[M+Na]+ 146.981938 126.8
[M-H]- 122.985444 116.6
[M+NH4]+ 142.026543 140.2
[M+K]+ 162.955878 125.0
[M+H-H2O]+ 106.989980 116.1
[M+HCOO]- 168.990921 134.8
[M+CH3COO]- 183.006571 163.5
[M+Na-2H]- 144.967386 123.4
[M]+ 123.99217142 119.0
[M]- 123.99326858 119.0
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