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: 1059
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	131.6
[M+Na]+	205.99947	139.6
[M-H]-	182.00297	138.4
[M+NH4]+	201.04407	151.7
[M+K]+	221.97341	132.9
[M+H-H2O]+	166.00751	129.5
[M+HCOO]-	228.00845	157.6
[M+CH3COO]-	242.02410	178.4
[M+Na-2H]-	203.98492	142.6
[M]+	183.00970	130.7
[M]-	183.01080	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe