CID 214661

Sulfamoyl azide, methylphenyl-

Structural Information

Molecular Formula

C₇H₈N₄O₂S

SMILES

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

InChI

InChI=1S/C7H8N4O2S/c1-11(14(12,13)10-9-8)7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

WDNIIFSRLXGOHW-UHFFFAOYSA-N

Compound name

[azidosulfonyl(methyl)amino]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.0368 Da
Monoisotopic Mass: 2.3
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]+	213.04408	139.0
[M+Na]+	235.02602	145.6
[M-H]-	211.02952	146.8
[M+NH4]+	230.07062	158.0
[M+K]+	250.99996	140.0
[M+H-H2O]+	195.03406	135.9
[M+HCOO]-	257.03500	165.9
[M+CH3COO]-	271.05065	189.7
[M+Na-2H]-	233.01147	149.4
[M]+	212.03625	138.8
[M]-	212.03735	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe