CID 96582

6,7-dichloroquinoline-5,8-dione

Structural Information

Molecular Formula
C9H3Cl2NO2
SMILES
C1=CC2=C(C(=O)C(=C(C2=O)Cl)Cl)N=C1
InChI
InChI=1S/C9H3Cl2NO2/c10-5-6(11)9(14)7-4(8(5)13)2-1-3-12-7/h1-3H
InChIKey
TUWOPVCIIBKUQS-UHFFFAOYSA-N
Compound name
6,7-dichloroquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

105
Patents

226.95409 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96137 138.7
[M+Na]+ 249.94331 151.8
[M-H]- 225.94681 142.2
[M+NH4]+ 244.98791 158.6
[M+K]+ 265.91725 146.2
[M+H-H2O]+ 209.95135 134.2
[M+HCOO]- 271.95229 151.5
[M+CH3COO]- 285.96794 187.2
[M+Na-2H]- 247.92876 145.3
[M]+ 226.95354 142.6
[M]- 226.95464 142.6
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

patents stripe