CID 166808

4-azidosulfanilamide

Structural Information

Molecular Formula

C₆H₆N₄O₂S

SMILES

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

InChI

InChI=1S/C6H6N4O2S/c7-9-10-13(11,12)8-6-4-2-1-3-5-6/h1-5,8H

InChIKey

FQISNIJNRZJCNU-UHFFFAOYSA-N

Compound name

(azidosulfonylamino)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 198.02115 Da
Monoisotopic Mass: 2.7
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]+	199.02843	133.5
[M+Na]+	221.01037	140.5
[M-H]-	197.01387	140.0
[M+NH4]+	216.05497	152.4
[M+K]+	236.98431	133.5
[M+H-H2O]+	181.01841	130.8
[M+HCOO]-	243.01935	160.3
[M+CH3COO]-	257.03500	183.2
[M+Na-2H]-	218.99582	145.2
[M]+	198.02060	131.7
[M]-	198.02170	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe