CID 97160

Ethyl 8-chloro-4-hydroxyquinoline-3-carboxylate

Structural Information

Molecular Formula
C12H10ClNO3
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2Cl
InChI
InChI=1S/C12H10ClNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)
InChIKey
CVTZGJPEFPRNNB-UHFFFAOYSA-N
Compound name
ethyl 8-chloro-4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
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

No literature data available for this compound.

Patent stripe

patents stripe