CID 57346764

Bis(16-hydroxyhexadecyl) disulfide

Structural Information

Molecular Formula
C32H66O2S2
SMILES
C(CCCCCCCCSSCCCCCCCCCCCCCCCCO)CCCCCCCO
InChI
InChI=1S/C32H66O2S2/c33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-35-36-32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34/h33-34H,1-32H2
InChIKey
ZHTKKUFQSKSIKL-UHFFFAOYSA-N
Compound name
16-(16-hydroxyhexadecyldisulfanyl)hexadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

546.45044 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.45772 240.8
[M+Na]+ 569.43966 243.4
[M+NH4]+ 564.48426 263.2
[M+K]+ 585.41360 265.0
[M-H]- 545.44316 238.5
[M+Na-2H]- 567.42511 236.3
[M]+ 546.44989 241.0
[M]- 546.45099 241.0
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

patents stripe