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

1682
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 218.7
[M+Na]+ 580.62192 219.3
[M-H]- 556.62542 209.2
[M+NH4]+ 575.66652 219.8
[M+K]+ 596.59586 222.4
[M+H-H2O]+ 540.62996 216.1
[M+HCOO]- 602.63090 189.8
[M+CH3COO]- 616.64655 214.7
[M+Na-2H]- 578.60737 202.6
[M]+ 557.63215 204.8
[M]- 557.63325 204.8
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

patents stripe