CID 6481531

2-amino-n-(4-bromophenyl)-5-chlorobenzamide

Structural Information

Molecular Formula
C13H10BrClN2O
SMILES
C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)N)Br
InChI
InChI=1S/C13H10BrClN2O/c14-8-1-4-10(5-2-8)17-13(18)11-7-9(15)3-6-12(11)16/h1-7H,16H2,(H,17,18)
InChIKey
CQXGWIYJBKLOIW-UHFFFAOYSA-N
Compound name
2-amino-N-(4-bromophenyl)-5-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

323.9665 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.97378 162.9
[M+Na]+ 346.95572 174.5
[M-H]- 322.95922 171.7
[M+NH4]+ 342.00032 180.9
[M+K]+ 362.92966 160.2
[M+H-H2O]+ 306.96376 161.8
[M+HCOO]- 368.96470 181.2
[M+CH3COO]- 382.98035 205.7
[M+Na-2H]- 344.94117 168.0
[M]+ 323.96595 181.1
[M]- 323.96705 181.1
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