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
3
Annotation Hits

1
References

5732
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 118.8
[M+Na]+ 142.98703 130.1
[M+NH4]+ 138.03163 126.9
[M+K]+ 158.96097 125.4
[M-H]- 118.99053 117.7
[M+Na-2H]- 140.97248 122.9
[M]+ 119.99726 120.1
[M]- 119.99836 120.1
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