CID 718113

Ethyl 6-chloro-4-hydroxy-3-quinolinecarboxylate

Structural Information

Molecular Formula
C12H10ClNO3
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)Cl
InChI
InChI=1S/C12H10ClNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
InChIKey
ABZXBXREXPKTCN-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

44
Patents

251.03493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04221 149.3
[M+Na]+ 274.02415 160.2
[M-H]- 250.02765 151.8
[M+NH4]+ 269.06875 166.9
[M+K]+ 289.99809 155.0
[M+H-H2O]+ 234.03219 143.6
[M+HCOO]- 296.03313 165.4
[M+CH3COO]- 310.04878 189.9
[M+Na-2H]- 272.00960 155.1
[M]+ 251.03438 153.3
[M]- 251.03548 153.3
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