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

42
Patents

498.25162 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.258896 213.8
[M+Na]+ 521.240838 211.3
[M-H]- 497.244344 206.8
[M+NH4]+ 516.285443 219.1
[M+K]+ 537.214778 201.7
[M+H-H2O]+ 481.248880 204.4
[M+HCOO]- 543.249821 195.1
[M+CH3COO]- 557.265471 243.7
[M+Na-2H]- 519.226286 213.6
[M]+ 498.25107142 211.4
[M]- 498.25216858 211.4
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