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
1
Annotation Hits

0
References

0
Patents

322.2 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.20728 178.0
[M+Na]+ 345.18922 180.5
[M-H]- 321.19272 176.1
[M+NH4]+ 340.23382 192.8
[M+K]+ 361.16316 175.5
[M+H-H2O]+ 305.19726 170.9
[M+HCOO]- 367.19820 185.9
[M+CH3COO]- 381.21385 209.1
[M+Na-2H]- 343.17467 172.4
[M]+ 322.19945 185.7
[M]- 322.20055 185.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.