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 182.1
[M+Na]+ 416.96122 192.3
[M-H]- 392.96472 190.9
[M+NH4]+ 412.00582 197.0
[M+K]+ 432.93516 174.2
[M+H-H2O]+ 376.96926 184.6
[M+HCOO]- 438.97020 200.0
[M+CH3COO]- 452.98585 210.6
[M+Na-2H]- 414.94667 186.4
[M]+ 393.97145 201.9
[M]- 393.97255 201.9
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.