CID 6434079

Brn 2102404

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)NCCCl
InChI
InChI=1S/C12H14ClNO2/c1-16-11-5-2-10(3-6-11)4-7-12(15)14-9-8-13/h2-7H,8-9H2,1H3,(H,14,15)/b7-4+
InChIKey
BLHWZUJWUBBBPV-QPJJXVBHSA-N
Compound name
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0713 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 152.3
[M+Na]+ 262.06052 164.5
[M+NH4]+ 257.10512 160.0
[M+K]+ 278.03446 157.0
[M-H]- 238.06402 154.2
[M+Na-2H]- 260.04597 158.4
[M]+ 239.07075 154.7
[M]- 239.07185 154.7
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.