CID 90539

3,4,5-tribromosalicylanilide

Structural Information

Molecular Formula

C₁₃H₈Br₃NO₂

SMILES

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

InChI

InChI=1S/C13H8Br3NO2/c14-9-6-8(12(18)11(16)10(9)15)13(19)17-7-4-2-1-3-5-7/h1-6,18H,(H,17,19)

InChIKey

WLYIIDKKPCXCLS-UHFFFAOYSA-N

Compound name

3,4,5-tribromo-2-hydroxy-N-phenylbenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 823
Patents: 446.81052 Da
Monoisotopic Mass: 5.0
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]+	447.81780	164.4
[M+Na]+	469.79974	157.4
[M+NH4]+	464.84434	165.2
[M+K]+	485.77368	165.5
[M-H]-	445.80324	166.6
[M+Na-2H]-	467.78519	165.7
[M]+	446.80997	163.9
[M]-	446.81107	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe