CID 516637

121845-91-8

Structural Information

Molecular Formula

C₁₂H₇FN₄

SMILES

C1=CC2=C(N=C1)N=NC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C12H7FN4/c13-9-5-3-8(4-6-9)11-15-10-2-1-7-14-12(10)17-16-11/h1-7H

InChIKey

DAYMHSYYQPOVJS-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)pyrido[3,2-e][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 226.06548 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]+	227.07276	149.0
[M+Na]+	249.05470	160.0
[M-H]-	225.05820	150.2
[M+NH4]+	244.09930	162.4
[M+K]+	265.02864	153.9
[M+H-H2O]+	209.06274	137.5
[M+HCOO]-	271.06368	167.1
[M+CH3COO]-	285.07933	160.6
[M+Na-2H]-	247.04015	159.3
[M]+	226.06493	147.7
[M]-	226.06603	147.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.