CID 292856

Di-tert-hexyl disulphide

Structural Information

Molecular Formula
C12H26S2
SMILES
CCCC(C)(C)SSC(C)(C)CCC
InChI
InChI=1S/C12H26S2/c1-7-9-11(3,4)13-14-12(5,6)10-8-2/h7-10H2,1-6H3
InChIKey
LFRBEBAWOFBWRJ-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-methylpentan-2-yldisulfanyl)pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

234.1476 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15488 156.1
[M+Na]+ 257.13682 161.4
[M-H]- 233.14032 155.6
[M+NH4]+ 252.18142 175.0
[M+K]+ 273.11076 157.9
[M+H-H2O]+ 217.14486 150.8
[M+HCOO]- 279.14580 163.7
[M+CH3COO]- 293.16145 194.8
[M+Na-2H]- 255.12227 155.6
[M]+ 234.14705 161.2
[M]- 234.14815 161.2
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