CID 93409

Bis(2-chlorooctyl) disulfide

Structural Information

Molecular Formula
C16H32Cl2S2
SMILES
CCCCCCC(CSSCC(CCCCCC)Cl)Cl
InChI
InChI=1S/C16H32Cl2S2/c1-3-5-7-9-11-15(17)13-19-20-14-16(18)12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
InChIKey
XVSUBHTWVKBFEH-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-chlorooctyldisulfanyl)octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.13226 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13954 179.6
[M+Na]+ 381.12148 182.6
[M-H]- 357.12498 177.9
[M+NH4]+ 376.16608 194.6
[M+K]+ 397.09542 175.2
[M+H-H2O]+ 341.12952 175.1
[M+HCOO]- 403.13046 177.7
[M+CH3COO]- 417.14611 214.6
[M+Na-2H]- 379.10693 173.3
[M]+ 358.13171 188.1
[M]- 358.13281 188.1
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

No patent data available for this compound.