CID 5211360

1,3-benzothiazol-2-yl 3,4-dichlorobenzyl sulfide

Structural Information

Molecular Formula
C14H9Cl2NS2
SMILES
C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H9Cl2NS2/c15-10-6-5-9(7-11(10)16)8-18-14-17-12-3-1-2-4-13(12)19-14/h1-7H,8H2
InChIKey
QSBZMVNCYHYDIV-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.95535 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.96263 168.4
[M+Na]+ 347.94457 186.0
[M+NH4]+ 342.98917 179.8
[M+K]+ 363.91851 172.9
[M-H]- 323.94807 174.3
[M+Na-2H]- 345.93002 177.0
[M]+ 324.95480 174.4
[M]- 324.95590 174.4
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.