CID 346697

N-(4-bromophenyl)-4-chlorobenzamide

Structural Information

Molecular Formula
C13H9BrClNO
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)Br)Cl
InChI
InChI=1S/C13H9BrClNO/c14-10-3-7-12(8-4-10)16-13(17)9-1-5-11(15)6-2-9/h1-8H,(H,16,17)
InChIKey
UXIPSAOJUBTGRM-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.