CID 15109937

Di-tert-nonyl pentasulphide

Structural Information

Molecular Formula
C18H38S5
SMILES
CCCCCCC(C)(C)SSSSSC(C)(C)CCCCCC
InChI
InChI=1S/C18H38S5/c1-7-9-11-13-15-17(3,4)19-21-23-22-20-18(5,6)16-14-12-10-8-2/h7-16H2,1-6H3
InChIKey
ZNEZESLWGHMTHL-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-methyloctan-2-ylpentasulfanyl)octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

414.1577 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16498 198.6
[M+Na]+ 437.14692 199.6
[M-H]- 413.15042 192.7
[M+NH4]+ 432.19152 207.6
[M+K]+ 453.12086 187.0
[M+H-H2O]+ 397.15496 189.7
[M+HCOO]- 459.15590 186.8
[M+CH3COO]- 473.17155 226.5
[M+Na-2H]- 435.13237 194.7
[M]+ 414.15715 197.4
[M]- 414.15825 197.4
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