CID 73798

Disulfide, dihexadecyl

Structural Information

Molecular Formula
C32H66S2
SMILES
CCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCC
InChI
InChI=1S/C32H66S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey
GUBWMRCVCQFLOJ-UHFFFAOYSA-N
Compound name
1-(hexadecyldisulfanyl)hexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

420
Patents

514.4606 Da
Monoisotopic Mass

16.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.46788 232.2
[M+Na]+ 537.44982 228.5
[M-H]- 513.45332 227.1
[M+NH4]+ 532.49442 239.7
[M+K]+ 553.42376 219.1
[M+H-H2O]+ 497.45786 222.4
[M+HCOO]- 559.45880 236.6
[M+CH3COO]- 573.47445 251.1
[M+Na-2H]- 535.43527 221.8
[M]+ 514.46005 245.5
[M]- 514.46115 245.5
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