CID 118791

35207-08-0

Structural Information

Molecular Formula

C₇H₈N₂O₃S

SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(=O)N

InChI

InChI=1S/C7H8N2O3S/c8-7(10)9-13(11,12)6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)

InChIKey

GHDLZGOOOLEJKI-UHFFFAOYSA-N

Compound name

benzenesulfonylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1355
Patents: 200.02556 Da
Monoisotopic Mass: 0.3
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]+	201.03284	138.7
[M+Na]+	223.01478	146.0
[M-H]-	199.01828	142.1
[M+NH4]+	218.05938	157.1
[M+K]+	238.98872	143.3
[M+H-H2O]+	183.02282	132.6
[M+HCOO]-	245.02376	158.5
[M+CH3COO]-	259.03941	182.4
[M+Na-2H]-	221.00023	144.1
[M]+	200.02501	138.3
[M]-	200.02611	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe