CID 90538

4,5-dibromosalicylanilide

Structural Information

Molecular Formula

C₁₃H₉Br₂NO₂

SMILES

C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2O)Br)Br

InChI

InChI=1S/C13H9Br2NO2/c14-10-6-9(12(17)7-11(10)15)13(18)16-8-4-2-1-3-5-8/h1-7,17H,(H,16,18)

InChIKey

NLQGPXRZRKLYEC-UHFFFAOYSA-N

Compound name

4,5-dibromo-2-hydroxy-N-phenylbenzamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 39
Patents: 368.9 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	369.907276	158.2
[M+Na]+	391.889218	167.4
[M-H]-	367.892724	166.1
[M+NH4]+	386.933823	173.9
[M+K]+	407.863158	151.3
[M+H-H2O]+	351.897260	164.7
[M+HCOO]-	413.898201	173.6
[M+CH3COO]-	427.913851	212.7
[M+Na-2H]-	389.874666	163.4
[M]+	368.89945142	190.8
[M]-	368.90054858	190.8

Literature stripe

literature stripe

Patent stripe

patents stripe