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 159.5
[M+Na]+ 336.96496 170.7
[M-H]- 312.96846 166.5
[M+NH4]+ 332.00956 177.1
[M+K]+ 352.93890 162.4
[M+H-H2O]+ 296.97300 155.2
[M+HCOO]- 358.97394 163.7
[M+CH3COO]- 372.98959 171.6
[M+Na-2H]- 334.95041 158.9
[M]+ 313.97519 166.0
[M]- 313.97629 166.0
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.