CID 24875

13,16-dithiaoctacosane

Structural Information

Molecular Formula
C26H54S2
SMILES
CCCCCCCCCCCCSCCSCCCCCCCCCCCC
InChI
InChI=1S/C26H54S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25-26-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChIKey
WXXCXXVZIQCGNZ-UHFFFAOYSA-N
Compound name
1-(2-dodecylsulfanylethylsulfanyl)dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

430.3667 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.37398 209.5
[M+Na]+ 453.35592 208.3
[M-H]- 429.35942 205.7
[M+NH4]+ 448.40052 220.4
[M+K]+ 469.32986 200.4
[M+H-H2O]+ 413.36396 200.7
[M+HCOO]- 475.36490 215.7
[M+CH3COO]- 489.38055 234.3
[M+Na-2H]- 451.34137 201.5
[M]+ 430.36615 220.6
[M]- 430.36725 220.6
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