CID 40233

17,20-dithiahexatriacontane

Structural Information

Molecular Formula
C34H70S2
SMILES
CCCCCCCCCCCCCCCCSCCSCCCCCCCCCCCCCCCC
InChI
InChI=1S/C34H70S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-33-34-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChIKey
VWVYISUIDOQKFZ-UHFFFAOYSA-N
Compound name
1-(2-hexadecylsulfanylethylsulfanyl)hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

542.4919 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.49918 239.6
[M+Na]+ 565.48112 235.0
[M-H]- 541.48462 234.1
[M+NH4]+ 560.52572 263.9
[M+K]+ 581.45506 225.2
[M+H-H2O]+ 525.48916 229.4
[M+HCOO]- 587.49010 276.6
[M+CH3COO]- 601.50575 256.6
[M+Na-2H]- 563.46657 228.4
[M]+ 542.49135 253.6
[M]- 542.49245 253.6
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