CID 1310784

(2e)-n-(4-bromo-3-methylphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide

Structural Information

Molecular Formula
C16H12BrClN2O3
SMILES
CC1=C(C=CC(=C1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br
InChI
InChI=1S/C16H12BrClN2O3/c1-10-8-12(4-5-13(10)17)19-16(21)7-3-11-2-6-14(18)15(9-11)20(22)23/h2-9H,1H3,(H,19,21)/b7-3+
InChIKey
XWTUAMNHOLLBPR-XVNBXDOJSA-N
Compound name
(E)-N-(4-bromo-3-methylphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.972 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.97928 180.6
[M+Na]+ 416.96122 185.8
[M+NH4]+ 412.00582 184.4
[M+K]+ 432.93516 186.2
[M-H]- 392.96472 184.1
[M+Na-2H]- 414.94667 184.3
[M]+ 393.97145 181.4
[M]- 393.97255 181.4
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.