CID 24209

7559-51-5

Structural Information

Molecular Formula
C24H50O2S2
SMILES
CCCCCCCCCCCCCCCCSS(=O)(=O)CCCCCCCC
InChI
InChI=1S/C24H50O2S2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-27-28(25,26)24-22-20-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
KHMGNPHNXZGWBT-UHFFFAOYSA-N
Compound name
1-octylsulfonylsulfanylhexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

434.32523 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.33251 210.8
[M+Na]+ 457.31445 210.9
[M-H]- 433.31795 207.5
[M+NH4]+ 452.35905 221.4
[M+K]+ 473.28839 203.4
[M+H-H2O]+ 417.32249 202.6
[M+HCOO]- 479.32343 217.0
[M+CH3COO]- 493.33908 231.0
[M+Na-2H]- 455.29990 204.7
[M]+ 434.32468 222.1
[M]- 434.32578 222.1
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.