CID 601060

Disulfide, bis(3,4-dichlorophenyl)

Structural Information

Molecular Formula
C12H6Cl4S2
SMILES
C1=CC(=C(C=C1SSC2=CC(=C(C=C2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl4S2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H
InChIKey
HQZNUGISESNNMQ-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-[(3,4-dichlorophenyl)disulfanyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

353.86652 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.87380 162.7
[M+Na]+ 376.85574 173.2
[M-H]- 352.85924 167.1
[M+NH4]+ 371.90034 178.0
[M+K]+ 392.82968 165.6
[M+H-H2O]+ 336.86378 160.1
[M+HCOO]- 398.86472 157.1
[M+CH3COO]- 412.88037 172.7
[M+Na-2H]- 374.84119 160.8
[M]+ 353.86597 167.2
[M]- 353.86707 167.2
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