CID 2776475

18336-39-5

Structural Information

Molecular Formula

C₉H₇ClN₂O₂S

SMILES

C1=CN(N=C1)C2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C9H7ClN2O2S/c10-15(13,14)9-4-2-8(3-5-9)12-7-1-6-11-12/h1-7H

InChIKey

AHXRGFFTKHQGOE-UHFFFAOYSA-N

Compound name

4-pyrazol-1-ylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 241.99167 Da
Monoisotopic Mass: 2.2
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]+	242.99895	149.6
[M+Na]+	264.98089	163.5
[M+NH4]+	260.02549	157.7
[M+K]+	280.95483	156.9
[M-H]-	240.98439	151.4
[M+Na-2H]-	262.96634	157.3
[M]+	241.99112	152.9
[M]-	241.99222	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe