CID 331151

75001-53-5

Structural Information

Molecular Formula
C12H9Cl2NO3
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2Cl)Cl
InChI
InChI=1S/C12H9Cl2NO3/c1-2-18-12(17)7-5-15-10-6(11(7)16)3-4-8(13)9(10)14/h3-5H,2H2,1H3,(H,15,16)
InChIKey
FAEKTUDLKDVPSY-UHFFFAOYSA-N
Compound name
ethyl 7,8-dichloro-4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

18
Patents

284.99594 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00322 153.8
[M+Na]+ 307.98516 165.8
[M-H]- 283.98866 155.9
[M+NH4]+ 303.02976 170.7
[M+K]+ 323.95910 159.6
[M+H-H2O]+ 267.99320 149.1
[M+HCOO]- 329.99414 164.8
[M+CH3COO]- 344.00979 195.7
[M+Na-2H]- 305.97061 158.2
[M]+ 284.99539 159.3
[M]- 284.99649 159.3
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

No patent data available for this compound.