CID 473045

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

Structural Information

Molecular Formula
C14H7Cl2NO2S
SMILES
C1=CC2=C(C=C1C(=O)C3=CC(=C(C=C3)Cl)Cl)SC(=O)N2
InChI
InChI=1S/C14H7Cl2NO2S/c15-9-3-1-7(5-10(9)16)13(18)8-2-4-11-12(6-8)20-14(19)17-11/h1-6H,(H,17,19)
InChIKey
JRJJONQQZDDJPK-UHFFFAOYSA-N
Compound name
6-(3,4-dichlorobenzoyl)-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.95746 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.96474 165.6
[M+Na]+ 345.94668 179.2
[M-H]- 321.95018 171.9
[M+NH4]+ 340.99128 183.2
[M+K]+ 361.92062 171.1
[M+H-H2O]+ 305.95472 160.9
[M+HCOO]- 367.95566 174.3
[M+CH3COO]- 381.97131 178.2
[M+Na-2H]- 343.93213 166.7
[M]+ 322.95691 172.6
[M]- 322.95801 172.6
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.