CID 473041

6-(3-chlorobenzoyl)-3h-1,3-benzothiazol-2-one

Structural Information

Molecular Formula
C14H8ClNO2S
SMILES
C1=CC(=CC(=C1)Cl)C(=O)C2=CC3=C(C=C2)NC(=O)S3
InChI
InChI=1S/C14H8ClNO2S/c15-10-3-1-2-8(6-10)13(17)9-4-5-11-12(7-9)19-14(18)16-11/h1-7H,(H,16,18)
InChIKey
PWWOODPTGNNUNI-UHFFFAOYSA-N
Compound name
6-(3-chlorobenzoyl)-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

288.99643 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.00371 160.0
[M+Na]+ 311.98565 172.7
[M-H]- 287.98915 166.6
[M+NH4]+ 307.03025 178.3
[M+K]+ 327.95959 165.4
[M+H-H2O]+ 271.99369 154.5
[M+HCOO]- 333.99463 173.9
[M+CH3COO]- 348.01028 173.1
[M+Na-2H]- 309.97110 162.5
[M]+ 288.99588 165.5
[M]- 288.99698 165.5
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

patents stripe