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
5
Annotation Hits

19
References

11878
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 114.6
[M+Na]+ 130.98703 124.0
[M-H]- 106.99053 115.5
[M+NH4]+ 126.03163 138.5
[M+K]+ 146.96097 123.2
[M+H-H2O]+ 90.995070 111.8
[M+HCOO]- 152.99601 134.6
[M+CH3COO]- 167.01166 165.3
[M+Na-2H]- 128.97248 121.8
[M]+ 107.99726 118.0
[M]- 107.99836 118.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.