CID 516605

121845-56-5

Structural Information

Molecular Formula

C₁₂H₆F₂N₄

SMILES

C1=CC(=C(C=C1F)F)C2=NC3=C(C=CN=C3)N=N2

InChI

InChI=1S/C12H6F2N4/c13-7-1-2-8(9(14)5-7)12-16-11-6-15-4-3-10(11)17-18-12/h1-6H

InChIKey

JBXAMVYCHBTMQQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 244.05605 Da
Monoisotopic Mass: 1.4
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]+	245.06333	152.7
[M+Na]+	267.04527	164.7
[M-H]-	243.04877	152.8
[M+NH4]+	262.08987	165.6
[M+K]+	283.01921	158.0
[M+H-H2O]+	227.05331	140.4
[M+HCOO]-	289.05425	169.7
[M+CH3COO]-	303.06990	164.0
[M+Na-2H]-	265.03072	161.4
[M]+	244.05550	150.8
[M]-	244.05660	150.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.