CID 64151937

1-(cyclopropylmethyl)-2-ethyl-1h-imidazole-4-sulfonyl chloride

Structural Information

Molecular Formula

C₉H₁₃ClN₂O₂S

SMILES

CCC1=NC(=CN1CC2CC2)S(=O)(=O)Cl

InChI

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

InChIKey

IKDWNJXUXOJJBQ-UHFFFAOYSA-N

Compound name

1-(cyclopropylmethyl)-2-ethylimidazole-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	153.2
[M+Na]+	271.027838	165.1
[M-H]-	247.031344	158.5
[M+NH4]+	266.072443	166.5
[M+K]+	287.001778	159.5
[M+H-H2O]+	231.035880	146.8
[M+HCOO]-	293.036821	165.7
[M+CH3COO]-	307.052471	190.8
[M+Na-2H]-	269.013286	154.3
[M]+	248.03807142	160.8
[M]-	248.03916858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.