CID 548486

4-azidobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₄ClN₃O₂S

SMILES

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

InChI

InChI=1S/C6H4ClN3O2S/c7-13(11,12)6-3-1-5(2-4-6)9-10-8/h1-4H

InChIKey

XGEZBMWZAWSSIK-UHFFFAOYSA-N

Compound name

4-azidobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 216.97127 Da
Monoisotopic Mass: 2.9
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]+	217.97855	140.5
[M+Na]+	239.96049	149.5
[M-H]-	215.96399	147.2
[M+NH4]+	235.00509	160.1
[M+K]+	255.93443	141.2
[M+H-H2O]+	199.96853	139.5
[M+HCOO]-	261.96947	161.7
[M+CH3COO]-	275.98512	183.3
[M+Na-2H]-	237.94594	149.9
[M]+	216.97072	141.7
[M]-	216.97182	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe