CID 77254

5-bromo-4'-chlorosalicylanilide

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

6
References

1864
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

patents stripe