CID 202895

(p-chlorophenyl)sulfamoyl azide

Structural Information

Molecular Formula

C₆H₅ClN₄O₂S

SMILES

C1=CC(=CC=C1NS(=O)(=O)N=[N+]=[N-])Cl

InChI

InChI=1S/C6H5ClN4O2S/c7-5-1-3-6(4-2-5)9-14(12,13)11-10-8/h1-4,9H

InChIKey

JXGRRTIYDSQVJR-UHFFFAOYSA-N

Compound name

1-(azidosulfonylamino)-4-chlorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.98218 Da
Monoisotopic Mass: 3.3
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]+	232.98946	143.3
[M+Na]+	254.97140	151.2
[M-H]-	230.97490	149.7
[M+NH4]+	250.01600	161.7
[M+K]+	270.94534	142.7
[M+H-H2O]+	214.97944	141.7
[M+HCOO]-	276.98038	165.3
[M+CH3COO]-	290.99603	188.1
[M+Na-2H]-	252.95685	153.3
[M]+	231.98163	143.6
[M]-	231.98273	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe