CID 75627

Disulfide, dioctadecyl

Structural Information

Molecular Formula
C36H74S2
SMILES
CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C36H74S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKey
MQQKTNDBASEZSD-UHFFFAOYSA-N
Compound name
1-(octadecyldisulfanyl)octadecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

9994
Patents

570.5232 Da
Monoisotopic Mass

18.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.53048 246.9
[M+Na]+ 593.51242 241.5
[M-H]- 569.51592 240.9
[M+NH4]+ 588.55702 270.9
[M+K]+ 609.48636 231.1
[M+H-H2O]+ 553.52046 236.4
[M+HCOO]- 615.52140 283.0
[M+CH3COO]- 629.53705 262.0
[M+Na-2H]- 591.49787 234.8
[M]+ 570.52265 261.5
[M]- 570.52375 261.5
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

patents stripe