CID 473052

6-(3,4-dichlorobenzoyl)-3-methyl-1,3-benzothiazol-2-one

Structural Information

Molecular Formula
C15H9Cl2NO2S
SMILES
CN1C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)Cl)Cl)SC1=O
InChI
InChI=1S/C15H9Cl2NO2S/c1-18-12-5-3-9(7-13(12)21-15(18)20)14(19)8-2-4-10(16)11(17)6-8/h2-7H,1H3
InChIKey
FSTXPMSYUZZHDK-UHFFFAOYSA-N
Compound name
6-(3,4-dichlorobenzoyl)-3-methyl-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.9731 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.98038 170.3
[M+Na]+ 359.96232 184.7
[M-H]- 335.96582 178.2
[M+NH4]+ 355.00692 188.4
[M+K]+ 375.93626 177.3
[M+H-H2O]+ 319.97036 165.3
[M+HCOO]- 381.97130 180.1
[M+CH3COO]- 395.98695 183.5
[M+Na-2H]- 357.94777 170.6
[M]+ 336.97255 179.8
[M]- 336.97365 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.