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 151.3
[M+Na]+ 266.01099 159.6
[M-H]- 242.01449 154.1
[M+NH4]+ 261.05559 170.0
[M+K]+ 281.98493 153.3
[M+H-H2O]+ 226.01903 146.9
[M+HCOO]- 288.01997 166.3
[M+CH3COO]- 302.03562 191.5
[M+Na-2H]- 263.99644 155.5
[M]+ 243.02122 154.0
[M]- 243.02232 154.0
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.