CID 11851183

Fluorofenidone

Structural Information

Molecular Formula

C₁₂H₁₀FNO

SMILES

CC1=CN(C(=O)C=C1)C2=CC(=CC=C2)F

InChI

InChI=1S/C12H10FNO/c1-9-5-6-12(15)14(8-9)11-4-2-3-10(13)7-11/h2-8H,1H3

InChIKey

JDZYVVUJIQYGRX-UHFFFAOYSA-N

Compound name

1-(3-fluorophenyl)-5-methylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 61
References: 138
Patents: 203.07465 Da
Monoisotopic Mass: 2.0
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]+	204.08193	139.6
[M+Na]+	226.06387	150.4
[M-H]-	202.06737	144.7
[M+NH4]+	221.10847	157.8
[M+K]+	242.03781	146.3
[M+H-H2O]+	186.07191	131.4
[M+HCOO]-	248.07285	162.8
[M+CH3COO]-	262.08850	186.0
[M+Na-2H]-	224.04932	146.2
[M]+	203.07410	139.4
[M]-	203.07520	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe