CID 3044751

2-propanone, 1,3-bis((4-chlorophenyl)thio)-

Structural Information

Molecular Formula
C15H12Cl2OS2
SMILES
C1=CC(=CC=C1SCC(=O)CSC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H12Cl2OS2/c16-11-1-5-14(6-2-11)19-9-13(18)10-20-15-7-3-12(17)4-8-15/h1-8H,9-10H2
InChIKey
POCOHBZIGLNLLJ-UHFFFAOYSA-N
Compound name
1,3-bis[(4-chlorophenyl)sulfanyl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.97067 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.97795 173.3
[M+Na]+ 364.95989 188.7
[M+NH4]+ 360.00449 183.4
[M+K]+ 380.93383 175.1
[M-H]- 340.96339 178.5
[M+Na-2H]- 362.94534 181.3
[M]+ 341.97012 178.7
[M]- 341.97122 178.7
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.