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 150.1
[M+Na]+ 274.02415 165.1
[M+NH4]+ 269.06875 157.9
[M+K]+ 289.99809 158.2
[M-H]- 250.02765 151.3
[M+Na-2H]- 272.00960 156.2
[M]+ 251.03438 152.8
[M]- 251.03548 152.8
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