CID 116693

Disulfide, bis(2-chlorohexyl)

Structural Information

Molecular Formula
C12H24Cl2S2
SMILES
CCCCC(CSSCC(CCCC)Cl)Cl
InChI
InChI=1S/C12H24Cl2S2/c1-3-5-7-11(13)9-15-16-10-12(14)8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKey
OHACEGHLVXOPHO-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-chlorohexyldisulfanyl)hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.06964 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07692 163.1
[M+Na]+ 325.05886 167.7
[M-H]- 301.06236 162.2
[M+NH4]+ 320.10346 180.2
[M+K]+ 341.03280 161.3
[M+H-H2O]+ 285.06690 159.3
[M+HCOO]- 347.06784 162.3
[M+CH3COO]- 361.08349 203.4
[M+Na-2H]- 323.04431 158.5
[M]+ 302.06909 170.1
[M]- 302.07019 170.1
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.