CID 7295

Methyl chloroacetate

Structural Information

Molecular Formula
C3H5ClO2
SMILES
COC(=O)CCl
InChI
InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3
InChIKey
QABLOFMHHSOFRJ-UHFFFAOYSA-N
Compound name
methyl 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

10405
Patents

107.99781 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.00509 114.7
[M+Na]+ 130.98703 126.5
[M+NH4]+ 126.03163 123.3
[M+K]+ 146.96097 121.2
[M-H]- 106.99053 114.0
[M+Na-2H]- 128.97248 119.5
[M]+ 107.99726 116.3
[M]- 107.99836 116.3
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

patents stripe