CID 53418956

948573-52-2

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

COC1=C(C=C2C(=C1)C(=O)C=CN2)F

InChI

InChI=1S/C10H8FNO2/c1-14-10-4-6-8(5-7(10)11)12-3-2-9(6)13/h2-5H,1H3,(H,12,13)

InChIKey

PDHUKRUYDMEQQU-UHFFFAOYSA-N

Compound name

7-fluoro-6-methoxy-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 193.05391 Da
Monoisotopic Mass: 1.6
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]+	194.06119	137.6
[M+Na]+	216.04313	151.8
[M+NH4]+	211.08773	145.6
[M+K]+	232.01707	145.1
[M-H]-	192.04663	138.2
[M+Na-2H]-	214.02858	144.1
[M]+	193.05336	139.7
[M]-	193.05446	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe