CID 92899

Propanoic acid, 3-chloro-2-hydroxy-

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

13
References

686
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 118.5
[M+Na]+ 146.98194 126.8
[M-H]- 122.98544 116.6
[M+NH4]+ 142.02654 140.2
[M+K]+ 162.95588 125.0
[M+H-H2O]+ 106.98998 116.1
[M+HCOO]- 168.99092 134.8
[M+CH3COO]- 183.00657 163.5
[M+Na-2H]- 144.96739 123.4
[M]+ 123.99217 119.0
[M]- 123.99327 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