CID 23359224

189063-54-5

Structural Information

Molecular Formula

C₇H₇N₅O₂S

SMILES

C1=CC(=CC=C1C2=NNN=N2)S(=O)(=O)N

InChI

InChI=1S/C7H7N5O2S/c8-15(13,14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H2,8,13,14)(H,9,10,11,12)

InChIKey

ANMFCTUVVZJPQL-UHFFFAOYSA-N

Compound name

4-(2H-tetrazol-5-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 225.03204 Da
Monoisotopic Mass: -0.3
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]+	226.03932	146.3
[M+Na]+	248.02126	157.0
[M-H]-	224.02476	147.4
[M+NH4]+	243.06586	160.2
[M+K]+	263.99520	152.2
[M+H-H2O]+	208.02930	138.6
[M+HCOO]-	270.03024	161.7
[M+CH3COO]-	284.04589	181.8
[M+Na-2H]-	246.00671	151.2
[M]+	225.03149	145.7
[M]-	225.03259	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe