CID 798972

N-(4-bromophenyl)-3-chlorobenzamide

Structural Information

Molecular Formula
C13H9BrClNO
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H9BrClNO/c14-10-4-6-12(7-5-10)16-13(17)9-2-1-3-11(15)8-9/h1-8H,(H,16,17)
InChIKey
YORBGBHHCAZVFQ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-3-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

308.9556 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.96288 158.1
[M+Na]+ 331.94482 169.9
[M-H]- 307.94832 167.3
[M+NH4]+ 326.98942 177.1
[M+K]+ 347.91876 156.2
[M+H-H2O]+ 291.95286 157.7
[M+HCOO]- 353.95380 176.2
[M+CH3COO]- 367.96945 200.5
[M+Na-2H]- 329.93027 164.7
[M]+ 308.95505 177.6
[M]- 308.95615 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe