CID 555606

Benzenesulfonyl azide

Structural Information

Molecular Formula

C₆H₅N₃O₂S

SMILES

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

InChI

InChI=1S/C6H5N3O2S/c7-8-9-12(10,11)6-4-2-1-3-5-6/h1-5H

InChIKey

XMRSVLCCIJUKDQ-UHFFFAOYSA-N

Compound name

N-diazobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 872
Patents: 183.01025 Da
Monoisotopic Mass: 2.4
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]+	184.01753	131.9
[M+Na]+	205.99947	144.0
[M+NH4]+	201.04407	140.4
[M+K]+	221.97341	138.4
[M-H]-	182.00297	136.3
[M+Na-2H]-	203.98492	140.0
[M]+	183.00970	135.1
[M]-	183.01080	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe