CID 2769631

98070-39-4

Structural Information

Molecular Formula
C4H7ClO3
SMILES
COC(=O)C(CO)Cl
InChI
InChI=1S/C4H7ClO3/c1-8-4(7)3(5)2-6/h3,6H,2H2,1H3
InChIKey
IPNQALYYANAHGS-UHFFFAOYSA-N
Compound name
methyl 2-chloro-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

138.00838 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.01566 122.6
[M+Na]+ 160.99760 131.0
[M-H]- 137.00110 122.0
[M+NH4]+ 156.04220 144.6
[M+K]+ 176.97154 129.9
[M+H-H2O]+ 121.00564 119.8
[M+HCOO]- 183.00658 140.2
[M+CH3COO]- 197.02223 168.4
[M+Na-2H]- 158.98305 127.5
[M]+ 138.00783 125.4
[M]- 138.00893 125.4
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