CID 131634125

Di-tert-dodecyl pentasulfide

Structural Information

Molecular Formula
C24H50S5
SMILES
CC(C)C(C)(C)C(C)(C)C(C)(C)SSSSSC(C)(C)C(C)(C)C(C)(C)C(C)C
InChI
InChI=1S/C24H50S5/c1-17(2)19(5,6)21(9,10)23(13,14)25-27-29-28-26-24(15,16)22(11,12)20(7,8)18(3)4/h17-18H,1-16H3
InChIKey
GXDXFLGLHULSAC-UHFFFAOYSA-N
Compound name
2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

498.25162 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.25890 227.7
[M+Na]+ 521.24084 228.7
[M+NH4]+ 516.28544 232.2
[M+K]+ 537.21478 219.1
[M-H]- 497.24434 224.4
[M+Na-2H]- 519.22629 223.4
[M]+ 498.25107 229.1
[M]- 498.25217 229.1
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