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

41
Patents

205.97238 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.979656 136.0
[M+Na]+ 228.961598 145.9
[M-H]- 204.965104 139.5
[M+NH4]+ 224.006203 157.1
[M+K]+ 244.935538 140.2
[M+H-H2O]+ 188.969640 132.6
[M+HCOO]- 250.970581 145.9
[M+CH3COO]- 264.986231 182.1
[M+Na-2H]- 226.947046 139.5
[M]+ 205.97183142 140.7
[M]- 205.97292858 140.7
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