CID 18954673

2-chloro-2-hydroxypropanoate

Structural Information

Molecular Formula
C3H5ClO3
SMILES
CC(C(=O)O)(O)Cl
InChI
InChI=1S/C3H5ClO3/c1-3(4,7)2(5)6/h7H,1H3,(H,5,6)
InChIKey
DSCUFZSWIGAJKM-UHFFFAOYSA-N
Compound name
2-chloro-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

112
Patents

123.99272 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.00000 118.3
[M+Na]+ 146.98194 127.2
[M-H]- 122.98544 116.6
[M+NH4]+ 142.02654 140.1
[M+K]+ 162.95588 125.3
[M+H-H2O]+ 106.98998 116.4
[M+HCOO]- 168.99092 134.0
[M+CH3COO]- 183.00657 162.9
[M+Na-2H]- 144.96739 125.1
[M]+ 123.99217 118.9
[M]- 123.99327 118.9
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