CID 65387

Dapsone hydroxylamine

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NO

InChI

InChI=1S/C12H12N2O3S/c13-9-1-5-11(6-2-9)18(16,17)12-7-3-10(14-15)4-8-12/h1-8,14-15H,13H2

InChIKey

IYDSJDWESCGRKW-UHFFFAOYSA-N

Compound name

N-[4-(4-aminophenyl)sulfonylphenyl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 43
References: 1022
Patents: 264.05685 Da
Monoisotopic Mass: 0.9
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]+	265.064126	155.2
[M+Na]+	287.046068	163.0
[M-H]-	263.049574	160.6
[M+NH4]+	282.090673	170.6
[M+K]+	303.020008	158.0
[M+H-H2O]+	247.054110	148.2
[M+HCOO]-	309.055051	174.3
[M+CH3COO]-	323.070701	194.2
[M+Na-2H]-	285.031516	160.5
[M]+	264.05630142	154.6
[M]-	264.05739858	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe