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

37
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 136.0
[M+Na]+ 228.96160 145.9
[M-H]- 204.96510 139.5
[M+NH4]+ 224.00620 157.1
[M+K]+ 244.93554 140.2
[M+H-H2O]+ 188.96964 132.6
[M+HCOO]- 250.97058 145.9
[M+CH3COO]- 264.98623 182.1
[M+Na-2H]- 226.94705 139.5
[M]+ 205.97183 140.7
[M]- 205.97293 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