CID 6434076

N-(2-chloroethyl)cinnamamide

Structural Information

Molecular Formula
C11H12ClNO
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NCCCl
InChI
InChI=1S/C11H12ClNO/c12-8-9-13-11(14)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)/b7-6+
InChIKey
QFXQBBDAKHZUEZ-VOTSOKGWSA-N
Compound name
(E)-N-(2-chloroethyl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06075 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06803 145.4
[M+Na]+ 232.04997 157.8
[M+NH4]+ 227.09457 153.8
[M+K]+ 248.02391 149.9
[M-H]- 208.05347 147.8
[M+Na-2H]- 230.03542 152.4
[M]+ 209.06020 148.0
[M]- 209.06130 148.0
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.