CID 2305424

2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone

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

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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 166.1
[M+Na]+ 341.97845 182.0
[M+NH4]+ 337.02305 176.6
[M+K]+ 357.95239 170.6
[M-H]- 317.98195 171.3
[M+Na-2H]- 339.96390 174.5
[M]+ 318.98868 171.4
[M]- 318.98978 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.