CID 113214

Disulfoxide, dioctyl

Structural Information

Molecular Formula

C₁₆H₃₄O₂S₂

SMILES

CCCCCCCCS(=O)S(=O)CCCCCCCC

InChI

InChI=1S/C16H34O2S2/c1-3-5-7-9-11-13-15-19(17)20(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey

UBCASRCXBQBPCA-UHFFFAOYSA-N

Compound name

1-octylsulfinylsulfinyloctane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 322.2 Da
Monoisotopic Mass: 5.6
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]+	323.207276	178.0
[M+Na]+	345.189218	180.5
[M-H]-	321.192724	176.1
[M+NH4]+	340.233823	192.8
[M+K]+	361.163158	175.5
[M+H-H2O]+	305.197260	170.9
[M+HCOO]-	367.198201	185.9
[M+CH3COO]-	381.213851	209.1
[M+Na-2H]-	343.174666	172.4
[M]+	322.19945142	185.7
[M]-	322.20054858	185.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.