CID 2305424

23384-66-9

Structural Information

Molecular Formula
C15H10ClNOS2
SMILES
C1=CC=C2C(=C1)N=C(S2)SCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClNOS2/c16-11-7-5-10(6-8-11)13(18)9-19-15-17-12-3-1-2-4-14(12)20-15/h1-8H,9H2
InChIKey
QDOHUROGULDTKW-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.98923 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.99651 166.8
[M+Na]+ 341.97845 178.9
[M-H]- 317.98195 174.1
[M+NH4]+ 337.02305 184.9
[M+K]+ 357.95239 171.5
[M+H-H2O]+ 301.98649 161.5
[M+HCOO]- 363.98743 176.3
[M+CH3COO]- 378.00308 179.2
[M+Na-2H]- 339.96390 168.2
[M]+ 318.98868 174.3
[M]- 318.98978 174.3
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.