CID 4962280

853574-42-2

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄S₂

SMILES

C1CS(=O)(=O)CC1NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H14N2O4S2/c11-8-1-3-10(4-2-8)18(15,16)12-9-5-6-17(13,14)7-9/h1-4,9,12H,5-7,11H2

InChIKey

OOBJVZQUYGGPMR-UHFFFAOYSA-N

Compound name

4-amino-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.0395 Da
Monoisotopic Mass: -0.2
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]+	291.046776	160.7
[M+Na]+	313.028718	168.6
[M-H]-	289.032224	166.4
[M+NH4]+	308.073323	179.3
[M+K]+	329.002658	163.7
[M+H-H2O]+	273.036760	155.6
[M+HCOO]-	335.037701	174.5
[M+CH3COO]-	349.053351	195.9
[M+Na-2H]-	311.014166	164.0
[M]+	290.03895142	160.8
[M]-	290.04004858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.