CID 202776

Dicyclohexyl sulfoxide

Structural Information

Molecular Formula

C₁₂H₂₂OS

SMILES

C1CCC(CC1)S(=O)C2CCCCC2

InChI

InChI=1S/C12H22OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2

InChIKey

XWJJFJIOTQSSAR-UHFFFAOYSA-N

Compound name

cyclohexylsulfinylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 269
Patents: 214.13913 Da
Monoisotopic Mass: 2.8
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]+	215.14641	149.6
[M+Na]+	237.12835	151.0
[M-H]-	213.13185	154.1
[M+NH4]+	232.17295	167.8
[M+K]+	253.10229	148.6
[M+H-H2O]+	197.13639	142.9
[M+HCOO]-	259.13733	160.2
[M+CH3COO]-	273.15298	184.2
[M+Na-2H]-	235.11380	148.6
[M]+	214.13858	141.9
[M]-	214.13968	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe