CID 83610

Octyl disulfone

Structural Information

Molecular Formula
C16H34O4S2
SMILES
CCCCCCCCS(=O)(=O)S(=O)(=O)CCCCCCCC
InChI
InChI=1S/C16H34O4S2/c1-3-5-7-9-11-13-15-21(17,18)22(19,20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
KKEJKYBURSQHHW-UHFFFAOYSA-N
Compound name
1-octylsulfonylsulfonyloctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.18985 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19713 186.1
[M+Na]+ 377.17907 189.8
[M-H]- 353.18257 184.4
[M+NH4]+ 372.22367 199.6
[M+K]+ 393.15301 184.4
[M+H-H2O]+ 337.18711 179.5
[M+HCOO]- 399.18805 194.1
[M+CH3COO]- 413.20370 210.5
[M+Na-2H]- 375.16452 184.9
[M]+ 354.18930 195.4
[M]- 354.19040 195.4
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.