CID 2765203

31755-80-3

Structural Information

Molecular Formula

C₁₂H₇FN₂O

SMILES

C1=CC(=CC=C1C2=CC=C(C(=O)N2)C#N)F

InChI

InChI=1S/C12H7FN2O/c13-10-4-1-8(2-5-10)11-6-3-9(7-14)12(16)15-11/h1-6H,(H,15,16)

InChIKey

PYJGVVJYSZCUCO-UHFFFAOYSA-N

Compound name

6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 214.05424 Da
Monoisotopic Mass: 1.9
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]+	215.06152	148.3
[M+Na]+	237.04346	162.5
[M+NH4]+	232.08806	152.4
[M+K]+	253.01740	151.8
[M-H]-	213.04696	142.9
[M+Na-2H]-	235.02891	153.9
[M]+	214.05369	148.0
[M]-	214.05479	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe