CID 165486113

(5-chloro-1-methyl-1h-pyrazol-3-yl)methanesulfonamide

Structural Information

Molecular Formula

C₅H₈ClN₃O₂S

SMILES

CN1C(=CC(=N1)CS(=O)(=O)N)Cl

InChI

InChI=1S/C5H8ClN3O2S/c1-9-5(6)2-4(8-9)3-12(7,10)11/h2H,3H2,1H3,(H2,7,10,11)

InChIKey

JJWNGSXLRKWZAO-UHFFFAOYSA-N

Compound name

(5-chloro-1-methylpyrazol-3-yl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.00258 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]+	210.009856	140.9
[M+Na]+	231.991798	152.4
[M-H]-	207.995304	142.7
[M+NH4]+	227.036403	160.2
[M+K]+	247.965738	148.5
[M+H-H2O]+	191.999840	135.6
[M+HCOO]-	254.000781	154.5
[M+CH3COO]-	268.016431	181.6
[M+Na-2H]-	229.977246	143.4
[M]+	209.00203142	144.7
[M]-	209.00312858	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.