CID 135742364

869475-52-5

Structural Information

Molecular Formula

C₉H₇FN₂O₂

SMILES

COC1=C(C=C2C(=C1)C(=O)NC=N2)F

InChI

InChI=1S/C9H7FN2O2/c1-14-8-2-5-7(3-6(8)10)11-4-12-9(5)13/h2-4H,1H3,(H,11,12,13)

InChIKey

FKPZPNBUKLAYAF-UHFFFAOYSA-N

Compound name

7-fluoro-6-methoxy-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 194.04915 Da
Monoisotopic Mass: 0.8
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]+	195.05643	137.8
[M+Na]+	217.03837	151.9
[M+NH4]+	212.08297	145.1
[M+K]+	233.01231	145.7
[M-H]-	193.04187	137.5
[M+Na-2H]-	215.02382	144.0
[M]+	194.04860	139.6
[M]-	194.04970	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe