CID 2821523

Ns00018502

Structural Information

Molecular Formula

C₁₃H₁₀ClN₃O₄S₂

SMILES

CS(=NS(=O)(=O)C1=CC=CC2=NON=C21)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H10ClN3O4S2/c1-22(18,10-7-5-9(14)6-8-10)17-23(19,20)12-4-2-3-11-13(12)16-21-15-11/h2-8H,1H3

InChIKey

DEFQWRVNJPZCTG-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2,1,3-benzoxadiazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 370.98013 Da
Monoisotopic Mass: 3.0
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]+	371.987406	182.7
[M+Na]+	393.969348	195.9
[M-H]-	369.972854	191.3
[M+NH4]+	389.013953	196.1
[M+K]+	409.943288	190.9
[M+H-H2O]+	353.977390	176.9
[M+HCOO]-	415.978331	192.3
[M+CH3COO]-	429.993981	208.7
[M+Na-2H]-	391.954796	189.8
[M]+	370.97958142	192.4
[M]-	370.98067858	192.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.