CID 15880400

4-(benzenesulfonyl)-1h-pyrazole

Structural Information

Molecular Formula

C₉H₈N₂O₂S

SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CNN=C2

InChI

InChI=1S/C9H8N2O2S/c12-14(13,9-6-10-11-7-9)8-4-2-1-3-5-8/h1-7H,(H,10,11)

InChIKey

JQBCHFZDHJZJGC-UHFFFAOYSA-N

Compound name

4-(benzenesulfonyl)-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.03065 Da
Monoisotopic Mass: 1.0
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]+	209.03793	142.9
[M+Na]+	231.01987	155.1
[M+NH4]+	226.06447	150.4
[M+K]+	246.99381	149.5
[M-H]-	207.02337	144.1
[M+Na-2H]-	229.00532	150.3
[M]+	208.03010	145.3
[M]-	208.03120	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe