CID 14360

1142-19-4

Structural Information

Molecular Formula
C12H8Cl2S2
SMILES
C1=CC(=CC=C1SSC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
InChIKey
ZIXXRXGPBFMPFD-UHFFFAOYSA-N
Compound name
1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

3035
Patents

285.94446 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.95174 151.8
[M+Na]+ 308.93368 162.4
[M-H]- 284.93718 158.5
[M+NH4]+ 303.97828 170.0
[M+K]+ 324.90762 154.4
[M+H-H2O]+ 268.94172 147.5
[M+HCOO]- 330.94266 156.8
[M+CH3COO]- 344.95831 164.1
[M+Na-2H]- 306.91913 153.3
[M]+ 285.94391 156.8
[M]- 285.94501 156.8
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.