CID 1512875

N-(4-bromophenyl)-2-chloro-5-nitrobenzamide

Structural Information

Molecular Formula
C13H8BrClN2O3
SMILES
C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)Br
InChI
InChI=1S/C13H8BrClN2O3/c14-8-1-3-9(4-2-8)16-13(18)11-7-10(17(19)20)5-6-12(11)15/h1-7H,(H,16,18)
InChIKey
DPMKXLDCKIVWHS-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-chloro-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.94067 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.94795 168.5
[M+Na]+ 376.92989 173.8
[M+NH4]+ 371.97449 173.0
[M+K]+ 392.90383 174.8
[M-H]- 352.93339 172.2
[M+Na-2H]- 374.91534 173.3
[M]+ 353.94012 169.4
[M]- 353.94122 169.4
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.