CID 6659

Methyl 2-chloroacrylate

Structural Information

Molecular Formula
C4H5ClO2
SMILES
COC(=O)C(=C)Cl
InChI
InChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3
InChIKey
AWJZTPWDQYFQPQ-UHFFFAOYSA-N
Compound name
methyl 2-chloroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

6394
Patents

119.99781 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.00509 117.6
[M+Na]+ 142.98703 126.8
[M-H]- 118.99053 118.5
[M+NH4]+ 138.03163 141.0
[M+K]+ 158.96097 125.5
[M+H-H2O]+ 102.99507 114.9
[M+HCOO]- 164.99601 136.6
[M+CH3COO]- 179.01166 168.2
[M+Na-2H]- 140.97248 123.2
[M]+ 119.99726 120.2
[M]- 119.99836 120.2
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