CID 52850

15,18-dithiadotriacontane

Structural Information

Molecular Formula
C30H62S2
SMILES
CCCCCCCCCCCCCCSCCSCCCCCCCCCCCCCC
InChI
InChI=1S/C30H62S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-29-30-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey
RGNNJYKLNFGYOU-UHFFFAOYSA-N
Compound name
1-(2-tetradecylsulfanylethylsulfanyl)tetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

486.4293 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.43658 224.7
[M+Na]+ 509.41852 221.9
[M-H]- 485.42202 220.1
[M+NH4]+ 504.46312 233.4
[M+K]+ 525.39246 213.0
[M+H-H2O]+ 469.42656 215.3
[M+HCOO]- 531.42750 229.7
[M+CH3COO]- 545.44315 245.5
[M+Na-2H]- 507.40397 215.1
[M]+ 486.42875 237.3
[M]- 486.42985 237.3
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