CID 78854

Bis(4-chlorophenyl) sulfide

Structural Information

Molecular Formula
C12H8Cl2S
SMILES
C1=CC(=CC=C1SC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey
MJEPOVIWHVRBIT-UHFFFAOYSA-N
Compound name
1-chloro-4-(4-chlorophenyl)sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

634
Patents

253.97238 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97966 147.8
[M+Na]+ 276.96160 158.6
[M-H]- 252.96510 154.6
[M+NH4]+ 272.00620 167.1
[M+K]+ 292.93554 151.5
[M+H-H2O]+ 236.96964 143.1
[M+HCOO]- 298.97058 158.2
[M+CH3COO]- 312.98623 161.0
[M+Na-2H]- 274.94705 151.3
[M]+ 253.97183 152.4
[M]- 253.97293 152.4
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