CID 5373977

Ethyl (e)-3-(4-chlorophenyl)acrylate

Structural Information

Molecular Formula
C11H11ClO2
SMILES
CCOC(=O)/C=C/C1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H11ClO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2H2,1H3/b8-5+
InChIKey
MHZFMMSRIDAQIB-VMPITWQZSA-N
Compound name
ethyl (E)-3-(4-chlorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

133
Patents

210.04475 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.052026 142.8
[M+Na]+ 233.033968 151.6
[M-H]- 209.037474 146.4
[M+NH4]+ 228.078573 162.7
[M+K]+ 249.007908 147.5
[M+H-H2O]+ 193.042010 137.9
[M+HCOO]- 255.042951 162.1
[M+CH3COO]- 269.058601 184.1
[M+Na-2H]- 231.019416 147.6
[M]+ 210.04420142 146.5
[M]- 210.04529858 146.5
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