CID 5743648

76464-67-0

Structural Information

Molecular Formula

C₁₀H₆N₄O₄S

SMILES

C1=CC(=CC=C1N2C(=O)C=CC2=O)S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C10H6N4O4S/c11-12-13-19(17,18)8-3-1-7(2-4-8)14-9(15)5-6-10(14)16/h1-6H

InChIKey

YMAGPUHECDCODP-UHFFFAOYSA-N

Compound name

N-diazo-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 278.011 Da
Monoisotopic Mass: 1.5
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]+	279.01828	156.2
[M+Na]+	301.00022	167.3
[M+NH4]+	296.04482	162.3
[M+K]+	316.97416	164.6
[M-H]-	277.00372	159.9
[M+Na-2H]-	298.98567	162.6
[M]+	278.01045	158.8
[M]-	278.01155	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe