CID 5274023

Chembl2088007

Structural Information

Molecular Formula
C13H9BrClNO2
SMILES
C1=CC(=CC=C1NC(=O)C2=C(C=C(C=C2)Cl)O)Br
InChI
InChI=1S/C13H9BrClNO2/c14-8-1-4-10(5-2-8)16-13(18)11-6-3-9(15)7-12(11)17/h1-7,17H,(H,16,18)
InChIKey
FKUWIADRNRMVEZ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-4-chloro-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

324.95053 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.95781 160.8
[M+Na]+ 347.93975 172.8
[M-H]- 323.94325 169.0
[M+NH4]+ 342.98435 178.7
[M+K]+ 363.91369 158.8
[M+H-H2O]+ 307.94779 160.5
[M+HCOO]- 369.94873 177.6
[M+CH3COO]- 383.96438 201.3
[M+Na-2H]- 345.92520 166.3
[M]+ 324.94998 180.3
[M]- 324.95108 180.3
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.