CID 135687075

3-benzoyl-6,8-dichloro-4-hydroxy-2-quinolone

Structural Information

Molecular Formula
C16H9Cl2NO3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O
InChI
InChI=1S/C16H9Cl2NO3/c17-9-6-10-13(11(18)7-9)19-16(22)12(15(10)21)14(20)8-4-2-1-3-5-8/h1-7H,(H2,19,21,22)
InChIKey
JKLOGVOXPXTBKE-UHFFFAOYSA-N
Compound name
3-benzoyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

332.99594 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00322 167.2
[M+Na]+ 355.98516 179.1
[M-H]- 331.98866 171.2
[M+NH4]+ 351.02976 181.1
[M+K]+ 371.95910 171.1
[M+H-H2O]+ 315.99320 161.1
[M+HCOO]- 377.99414 176.7
[M+CH3COO]- 392.00979 178.4
[M+Na-2H]- 353.97061 170.8
[M]+ 332.99539 170.6
[M]- 332.99649 170.6
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

patents stripe