CID 52753

Bis(pentachlorobenzylthio)methane

Structural Information

Molecular Formula
C15H6Cl10S2
SMILES
C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)SCSCC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C15H6Cl10S2/c16-6-4(7(17)11(21)14(24)10(6)20)1-26-3-27-2-5-8(18)12(22)15(25)13(23)9(5)19/h1-3H2
InChIKey
FINVGQAAWZXQFY-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentachloro-6-[(2,3,4,5,6-pentachlorophenyl)methylsulfanylmethylsulfanylmethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.6796 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.68688 225.6
[M+Na]+ 622.66882 225.6
[M-H]- 598.67232 215.9
[M+NH4]+ 617.71342 225.9
[M+K]+ 638.64276 228.3
[M+H-H2O]+ 582.67686 222.6
[M+HCOO]- 644.67780 196.3
[M+CH3COO]- 658.69345 220.9
[M+Na-2H]- 620.65427 208.8
[M]+ 599.67905 212.3
[M]- 599.68015 212.3
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.