CID 3085462

Chloroacetic acid, 3(or 4)-ethenylbenzyl ester

Structural Information

Molecular Formula
C11H11ClO2
SMILES
C=CC1=CC=C(C=C1)COC(=O)CCl
InChI
InChI=1S/C11H11ClO2/c1-2-9-3-5-10(6-4-9)8-14-11(13)7-12/h2-6H,1,7-8H2
InChIKey
ZCQMTVVJUCDYSS-UHFFFAOYSA-N
Compound name
(4-ethenylphenyl)methyl 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

210.04475 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05203 143.1
[M+Na]+ 233.03397 156.7
[M+NH4]+ 228.07857 151.5
[M+K]+ 249.00791 149.2
[M-H]- 209.03747 144.8
[M+Na-2H]- 231.01942 149.8
[M]+ 210.04420 145.7
[M]- 210.04530 145.7
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

patents stripe