CID 43144397

1094425-19-0

Structural Information

Molecular Formula

C₁₁H₆ClFN₄

SMILES

C1=CC(=CC(=C1)F)C2=NN=C3N2N=C(C=C3)Cl

InChI

InChI=1S/C11H6ClFN4/c12-9-4-5-10-14-15-11(17(10)16-9)7-2-1-3-8(13)6-7/h1-6H

InChIKey

GHWZNGPMUKVBLK-UHFFFAOYSA-N

Compound name

6-chloro-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 248.0265 Da
Monoisotopic Mass: 2.5
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]+	249.03378	149.2
[M+Na]+	271.01572	163.1
[M-H]-	247.01922	151.1
[M+NH4]+	266.06032	164.9
[M+K]+	286.98966	156.1
[M+H-H2O]+	231.02376	138.7
[M+HCOO]-	293.02470	165.2
[M+CH3COO]-	307.04035	162.0
[M+Na-2H]-	269.00117	156.5
[M]+	248.02595	152.3
[M]-	248.02705	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe