CID 24207

7559-44-6

Structural Information

Molecular Formula
C32H66O2S2
SMILES
CCCCCCCCCCCCCCCCSS(=O)(=O)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C32H66O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-36(33,34)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey
GIYYIWBIWXYPIE-UHFFFAOYSA-N
Compound name
1-hexadecylsulfonylsulfanylhexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.45044 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.45772 241.4
[M+Na]+ 569.43966 238.1
[M-H]- 545.44316 233.5
[M+NH4]+ 564.48426 253.5
[M+K]+ 585.41360 228.8
[M+H-H2O]+ 529.44770 231.8
[M+HCOO]- 591.44864 266.1
[M+CH3COO]- 605.46429 253.5
[M+Na-2H]- 567.42511 232.2
[M]+ 546.44989 261.4
[M]- 546.45099 261.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.