CID 132343721

3-cyclopentyl-1-methyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula

C₉H₁₃ClN₂O₂S

SMILES

CN1C=C(C(=N1)C2CCCC2)S(=O)(=O)Cl

InChI

InChI=1S/C9H13ClN2O2S/c1-12-6-8(15(10,13)14)9(11-12)7-4-2-3-5-7/h6-7H,2-5H2,1H3

InChIKey

HSMBDTDYMBRLKC-UHFFFAOYSA-N

Compound name

3-cyclopentyl-1-methylpyrazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.03862 Da
Monoisotopic Mass: 1.9
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]+	249.045896	155.6
[M+Na]+	271.027838	166.0
[M-H]-	247.031344	160.8
[M+NH4]+	266.072443	175.5
[M+K]+	287.001778	162.3
[M+H-H2O]+	231.035880	150.0
[M+HCOO]-	293.036821	167.3
[M+CH3COO]-	307.052471	186.0
[M+Na-2H]-	269.013286	154.6
[M]+	248.03807142	158.6
[M]-	248.03916858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.