CID 68351

Disulon

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₄S₂

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)

InChIKey

GCQZFVAHUZIDRP-UHFFFAOYSA-N

Compound name

4-amino-N-(4-sulfamoylphenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 38
References: 1026
Patents: 327.03476 Da
Monoisotopic Mass: 0.6
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]+	328.04204	169.9
[M+Na]+	350.02398	177.1
[M-H]-	326.02748	174.9
[M+NH4]+	345.06858	182.3
[M+K]+	365.99792	170.5
[M+H-H2O]+	310.03202	162.1
[M+HCOO]-	372.03296	183.7
[M+CH3COO]-	386.04861	207.0
[M+Na-2H]-	348.00943	175.2
[M]+	327.03421	169.1
[M]-	327.03531	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe