CID 13661

P-toluenesulfonyl azide

Structural Information

Molecular Formula

C₇H₇N₃O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C7H7N3O2S/c1-6-2-4-7(5-3-6)13(11,12)10-9-8/h2-5H,1H3

InChIKey

NDLIRBZKZSDGSO-UHFFFAOYSA-N

Compound name

N-diazo-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 5291
Patents: 197.0259 Da
Monoisotopic Mass: 2.8
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]+	198.033176	136.0
[M+Na]+	220.015118	144.4
[M-H]-	196.018624	143.0
[M+NH4]+	215.059723	155.8
[M+K]+	235.989058	137.5
[M+H-H2O]+	180.023160	133.9
[M+HCOO]-	242.024101	161.6
[M+CH3COO]-	256.039751	182.5
[M+Na-2H]-	218.000566	145.9
[M]+	197.02535142	135.8
[M]-	197.02644858	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe