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]+ 211.05203 142.8
[M+Na]+ 233.03397 151.6
[M-H]- 209.03747 146.4
[M+NH4]+ 228.07857 162.7
[M+K]+ 249.00791 147.5
[M+H-H2O]+ 193.04201 137.9
[M+HCOO]- 255.04295 162.1
[M+CH3COO]- 269.05860 184.1
[M+Na-2H]- 231.01942 147.6
[M]+ 210.04420 146.5
[M]- 210.04530 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.