CID 11073578

Ethyl 2-(chloromethyl)acrylate (stabilized with hq)

Structural Information

Molecular Formula
C6H9ClO2
SMILES
CCOC(=O)C(=C)CCl
InChI
InChI=1S/C6H9ClO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3
InChIKey
KPXRGIVPSXFJEX-UHFFFAOYSA-N
Compound name
ethyl 2-(chloromethyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

148.02911 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.036386 127.2
[M+Na]+ 171.018328 135.5
[M-H]- 147.021834 127.7
[M+NH4]+ 166.062933 149.5
[M+K]+ 186.992268 133.7
[M+H-H2O]+ 131.026370 124.0
[M+HCOO]- 193.027311 145.5
[M+CH3COO]- 207.042961 174.2
[M+Na-2H]- 169.003776 131.6
[M]+ 148.02856142 130.5
[M]- 148.02965858 130.5
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