CID 82054

7566-41-8

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₅S₂

SMILES

C1=CC(=CC=C1OC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N

InChI

InChI=1S/C12H12N2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)

InChIKey

OODSXPZTBWKLTE-UHFFFAOYSA-N

Compound name

4-(4-sulfamoylphenoxy)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 56
Patents: 328.01877 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]+	329.02605	169.6
[M+Na]+	351.00799	178.8
[M+NH4]+	346.05259	175.1
[M+K]+	366.98193	172.1
[M-H]-	327.01149	171.3
[M+Na-2H]-	348.99344	175.6
[M]+	328.01822	172.1
[M]-	328.01932	172.1

Literature stripe

literature stripe

Patent stripe

patents stripe