CID 710713

N-(4-bromophenyl)-3-nitrobenzamide

Structural Information

Molecular Formula
C13H9BrN2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H9BrN2O3/c14-10-4-6-11(7-5-10)15-13(17)9-2-1-3-12(8-9)16(18)19/h1-8H,(H,15,17)
InChIKey
BCNOELQOESJJCH-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.97964 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.98692 162.8
[M+Na]+ 342.96886 171.5
[M-H]- 318.97236 171.8
[M+NH4]+ 338.01346 179.2
[M+K]+ 358.94280 156.2
[M+H-H2O]+ 302.97690 164.7
[M+HCOO]- 364.97784 185.9
[M+CH3COO]- 378.99349 198.1
[M+Na-2H]- 340.95431 170.4
[M]+ 319.97909 179.5
[M]- 319.98019 179.5
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.