CID 6434078

4-chloro-n-(2-chloroethyl)cinnamamide

Structural Information

Molecular Formula
C11H11Cl2NO
SMILES
C1=CC(=CC=C1/C=C/C(=O)NCCCl)Cl
InChI
InChI=1S/C11H11Cl2NO/c12-7-8-14-11(15)6-3-9-1-4-10(13)5-2-9/h1-6H,7-8H2,(H,14,15)/b6-3+
InChIKey
WDUMNDDMHPFXFP-ZZXKWVIFSA-N
Compound name
(E)-N-(2-chloroethyl)-3-(4-chlorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.02177 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.02905 150.8
[M+Na]+ 266.01099 164.1
[M+NH4]+ 261.05559 159.3
[M+K]+ 281.98493 155.7
[M-H]- 242.01449 153.1
[M+Na-2H]- 263.99644 157.5
[M]+ 243.02122 153.9
[M]- 243.02232 153.9
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.