CID 3043338

3',5'-dibromo-2,4'-dihydroxybenzanilide

Structural Information

Molecular Formula

C₁₃H₉Br₂NO₃

SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C(=C2)Br)O)Br)O

InChI

InChI=1S/C13H9Br2NO3/c14-9-5-7(6-10(15)12(9)18)16-13(19)8-3-1-2-4-11(8)17/h1-6,17-18H,(H,16,19)

InChIKey

HIQMVDVFWVAWRF-UHFFFAOYSA-N

Compound name

N-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 384.89493 Da
Monoisotopic Mass: 4.3
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]+	385.90221	160.6
[M+Na]+	407.88415	169.7
[M-H]-	383.88765	167.6
[M+NH4]+	402.92875	175.2
[M+K]+	423.85809	153.4
[M+H-H2O]+	367.89219	166.8
[M+HCOO]-	429.89313	174.8
[M+CH3COO]-	443.90878	213.5
[M+Na-2H]-	405.86960	164.8
[M]+	384.89438	193.0
[M]-	384.89548	193.0

Literature stripe

literature stripe

Patent stripe

patents stripe