CID 385958

3-chloro-4-methylphenyl disulfide

Structural Information

Molecular Formula
C14H12Cl2S2
SMILES
CC1=C(C=C(C=C1)SSC2=CC(=C(C=C2)C)Cl)Cl
InChI
InChI=1S/C14H12Cl2S2/c1-9-3-5-11(7-13(9)15)17-18-12-6-4-10(2)14(16)8-12/h3-8H,1-2H3
InChIKey
GPXATXPADIJRGI-UHFFFAOYSA-N
Compound name
2-chloro-4-[(3-chloro-4-methylphenyl)disulfanyl]-1-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.97574 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.98302 167.8
[M+Na]+ 336.96496 184.9
[M+NH4]+ 332.00956 179.0
[M+K]+ 352.93890 170.6
[M-H]- 312.96846 174.1
[M+Na-2H]- 334.95041 176.3
[M]+ 313.97519 173.9
[M]- 313.97629 173.9
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

No patent data available for this compound.