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 145.5
[M+Na]+ 232.04997 152.5
[M-H]- 208.05347 148.6
[M+NH4]+ 227.09457 164.8
[M+K]+ 248.02391 147.7
[M+H-H2O]+ 192.05801 140.1
[M+HCOO]- 254.05895 165.6
[M+CH3COO]- 268.07460 185.8
[M+Na-2H]- 230.03542 151.2
[M]+ 209.06020 146.7
[M]- 209.06130 146.7
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.