CID 89716

Bis(pentachlorophenyl) disulfide

Structural Information

Molecular Formula
C12Cl10S2
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)SSC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12Cl10S2/c13-1-3(15)7(19)11(8(20)4(1)16)23-24-12-9(21)5(17)2(14)6(18)10(12)22
InChIKey
LSVXAQMPXJUTBV-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentachloro-6-[(2,3,4,5,6-pentachlorophenyl)disulfanyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1525
Patents

557.6327 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.63998 261.2
[M+Na]+ 580.62192 268.6
[M+NH4]+ 575.66652 263.6
[M+K]+ 596.59586 256.5
[M-H]- 556.62542 259.6
[M+Na-2H]- 578.60737 256.9
[M]+ 557.63215 263.3
[M]- 557.63325 263.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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