CID 21976195

(ethenesulfonyl)cyclohexane

Structural Information

Molecular Formula

C₈H₁₄O₂S

SMILES

C=CS(=O)(=O)C1CCCCC1

InChI

InChI=1S/C8H14O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2,8H,1,3-7H2

InChIKey

JHGHTBSOZYDUJC-UHFFFAOYSA-N

Compound name

ethenylsulfonylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 174.07146 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]+	175.07874	136.0
[M+Na]+	197.06068	142.0
[M-H]-	173.06418	139.0
[M+NH4]+	192.10528	156.5
[M+K]+	213.03462	139.7
[M+H-H2O]+	157.06872	131.0
[M+HCOO]-	219.06966	150.8
[M+CH3COO]-	233.08531	175.1
[M+Na-2H]-	195.04613	139.2
[M]+	174.07091	133.8
[M]-	174.07201	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe