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
2
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]+ 415.164976 198.6
[M+Na]+ 437.146918 199.6
[M-H]- 413.150424 192.7
[M+NH4]+ 432.191523 207.6
[M+K]+ 453.120858 187.0
[M+H-H2O]+ 397.154960 189.7
[M+HCOO]- 459.155901 186.8
[M+CH3COO]- 473.171551 226.5
[M+Na-2H]- 435.132366 194.7
[M]+ 414.15715142 197.4
[M]- 414.15824858 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