CID 3018009

75073-15-3

Structural Information

Molecular Formula

C₁₂H₉ClFNO₃

SMILES

CCOC(=O)C1=CNC2=CC(=C(C=C2C1=O)F)Cl

InChI

InChI=1S/C12H9ClFNO3/c1-2-18-12(17)7-5-15-10-4-8(13)9(14)3-6(10)11(7)16/h3-5H,2H2,1H3,(H,15,16)

InChIKey

VLOYRWBXBBOLJW-UHFFFAOYSA-N

Compound name

ethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 81
Patents: 269.0255 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.03278	153.0
[M+Na]+	292.01472	167.1
[M+NH4]+	287.05932	159.9
[M+K]+	307.98866	160.6
[M-H]-	268.01822	152.6
[M+Na-2H]-	290.00017	158.0
[M]+	269.02495	155.0
[M]-	269.02605	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe