CID 202019

7300-27-8

Structural Information

Molecular Formula

C₁₂H₈N₆O₂S

SMILES

C1=CC(=CC=C1N=[N+]=[N-])S(=O)(=O)C2=CC=C(C=C2)N=[N+]=[N-]

InChI

InChI=1S/C12H8N6O2S/c13-17-15-9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)16-18-14/h1-8H

InChIKey

KRPUDHQXDFRBGF-UHFFFAOYSA-N

Compound name

1-azido-4-(4-azidophenyl)sulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 592
Patents: 300.04294 Da
Monoisotopic Mass: 4.2
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]+	301.05022	162.6
[M+Na]+	323.03216	176.0
[M+NH4]+	318.07676	170.4
[M+K]+	339.00610	170.6
[M-H]-	299.03566	172.1
[M+Na-2H]-	321.01761	173.1
[M]+	300.04239	167.3
[M]-	300.04349	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe