CID 5123252

6655-31-8

Structural Information

Molecular Formula

C₆H₄N₄O₄S

SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C6H4N4O4S/c7-8-9-15(13,14)6-4-2-1-3-5(6)10(11)12/h1-4H

InChIKey

MNMURNLWLUKMSZ-UHFFFAOYSA-N

Compound name

N-diazo-2-nitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 227.99533 Da
Monoisotopic Mass: 2.3
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]+	229.00261	157.5
[M+Na]+	250.98455	164.2
[M+NH4]+	246.02915	166.6
[M+K]+	266.95849	174.2
[M-H]-	226.98805	153.8
[M+Na-2H]-	248.97000	156.9
[M]+	227.99478	159.7
[M]-	227.99588	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe