CID 82156

Vinyl chloroacetate

Structural Information

Molecular Formula
C4H5ClO2
SMILES
C=COC(=O)CCl
InChI
InChI=1S/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2
InChIKey
XJELOQYISYPGDX-UHFFFAOYSA-N
Compound name
ethenyl 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

16466
Patents

119.99781 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.00509 117.9
[M+Na]+ 142.98703 127.2
[M-H]- 118.99053 118.6
[M+NH4]+ 138.03163 141.3
[M+K]+ 158.96097 125.5
[M+H-H2O]+ 102.99507 115.0
[M+HCOO]- 164.99601 137.8
[M+CH3COO]- 179.01166 167.3
[M+Na-2H]- 140.97248 124.6
[M]+ 119.99726 121.0
[M]- 119.99836 121.0
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