CID 3771155

1,4-dichloro-2-[(2-chloroethyl)sulfanyl]benzene

Structural Information

Molecular Formula
C8H7Cl3S
SMILES
C1=CC(=C(C=C1Cl)SCCCl)Cl
InChI
InChI=1S/C8H7Cl3S/c9-3-4-12-8-5-6(10)1-2-7(8)11/h1-2,5H,3-4H2
InChIKey
HYFSHARHKLFQTF-UHFFFAOYSA-N
Compound name
1,4-dichloro-2-(2-chloroethylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.93341 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.94069 141.7
[M+Na]+ 262.92263 152.0
[M-H]- 238.92613 144.4
[M+NH4]+ 257.96723 161.5
[M+K]+ 278.89657 145.8
[M+H-H2O]+ 222.93067 139.2
[M+HCOO]- 284.93161 146.2
[M+CH3COO]- 298.94726 188.6
[M+Na-2H]- 260.90808 143.5
[M]+ 239.93286 146.5
[M]- 239.93396 146.5
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

No patent data available for this compound.