CID 84393

14366-73-5

Structural Information

Molecular Formula
C8H8Cl2S
SMILES
C1=CC(=CC=C1SCCCl)Cl
InChI
InChI=1S/C8H8Cl2S/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChIKey
PVPKFKCDIRXVLO-UHFFFAOYSA-N
Compound name
1-chloro-4-(2-chloroethylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

205.97238 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.97966 139.7
[M+Na]+ 228.96160 154.9
[M+NH4]+ 224.00620 150.6
[M+K]+ 244.93554 143.7
[M-H]- 204.96510 143.2
[M+Na-2H]- 226.94705 147.5
[M]+ 205.97183 144.1
[M]- 205.97293 144.1
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

patents stripe