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

32
Patents

123.99272 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.00000 118.8
[M+Na]+ 146.98194 128.6
[M+NH4]+ 142.02654 125.9
[M+K]+ 162.95588 125.3
[M-H]- 122.98544 116.2
[M+Na-2H]- 144.96739 121.4
[M]+ 123.99217 119.3
[M]- 123.99327 119.3
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

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