CID 1068537

N-(4-bromophenyl)-4-chloro-3-nitrobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

353.94067 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.94795 169.0
[M+Na]+ 376.92989 179.3
[M-H]- 352.93339 178.0
[M+NH4]+ 371.97449 185.2
[M+K]+ 392.90383 162.4
[M+H-H2O]+ 336.93793 171.9
[M+HCOO]- 398.93887 187.8
[M+CH3COO]- 412.95452 202.6
[M+Na-2H]- 374.91534 175.5
[M]+ 353.94012 188.3
[M]- 353.94122 188.3
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

patents stripe