CID 225508

3',5'-dibromosulfanilanilide

Structural Information

Molecular Formula

C₁₂H₁₀Br₂N₂O₂S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC2=CC(=CC(=C2)Br)Br

InChI

InChI=1S/C12H10Br2N2O2S/c13-8-5-9(14)7-11(6-8)16-19(17,18)12-3-1-10(15)2-4-12/h1-7,16H,15H2

InChIKey

CMPLBWGAIBCXTD-UHFFFAOYSA-N

Compound name

4-amino-N-(3,5-dibromophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 403.88297 Da
Monoisotopic Mass: 2.9
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]+	404.89025	151.6
[M+Na]+	426.87219	162.0
[M-H]-	402.87569	160.3
[M+NH4]+	421.91679	166.9
[M+K]+	442.84613	144.4
[M+H-H2O]+	386.88023	157.7
[M+HCOO]-	448.88117	164.6
[M+CH3COO]-	462.89682	218.1
[M+Na-2H]-	424.85764	157.9
[M]+	403.88242	185.3
[M]-	403.88352	185.3

Literature stripe

literature stripe

Patent stripe

patents stripe