CID 50988845

1258650-40-6

Structural Information

Molecular Formula
C13H10ClNOS
SMILES
C1CC2=C(C(=O)C1)SC(=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H10ClNOS/c14-9-6-4-8(5-7-9)13-15-10-2-1-3-11(16)12(10)17-13/h4-7H,1-3H2
InChIKey
XXCCTQYLMPIBBY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.01715 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.02443 154.6
[M+Na]+ 286.00637 169.8
[M+NH4]+ 281.05097 165.3
[M+K]+ 301.98031 160.7
[M-H]- 262.00987 159.5
[M+Na-2H]- 283.99182 162.0
[M]+ 263.01660 159.1
[M]- 263.01770 159.1
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.