CID 202878

P-tolylsulfamoyl azide

Structural Information

Molecular Formula

C₇H₈N₄O₂S

SMILES

CC1=CC=C(C=C1)NS(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C7H8N4O2S/c1-6-2-4-7(5-3-6)9-14(12,13)11-10-8/h2-5,9H,1H3

InChIKey

GDDGQFCLYKJCOZ-UHFFFAOYSA-N

Compound name

1-(azidosulfonylamino)-4-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 212.0368 Da
Monoisotopic Mass: 3.1
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]+	213.04408	138.3
[M+Na]+	235.02602	145.6
[M-H]-	211.02952	144.9
[M+NH4]+	230.07062	156.9
[M+K]+	250.99996	138.4
[M+H-H2O]+	195.03406	135.6
[M+HCOO]-	257.03500	164.7
[M+CH3COO]-	271.05065	187.3
[M+Na-2H]-	233.01147	148.8
[M]+	212.03625	137.1
[M]-	212.03735	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe