CID 1482346

33050-38-3

Structural Information

Molecular Formula

C₅H₂Cl₂N₄

SMILES

C1=CC(=NN2C1=NN=C2Cl)Cl

InChI

InChI=1S/C5H2Cl2N4/c6-3-1-2-4-8-9-5(7)11(4)10-3/h1-2H

InChIKey

YHVQNULRPMZYEO-UHFFFAOYSA-N

Compound name

3,6-dichloro-[1,2,4]triazolo[4,3-b]pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 94
Patents: 187.96565 Da
Monoisotopic Mass: 1.7
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]+	188.97293	130.4
[M+Na]+	210.95487	147.0
[M+NH4]+	205.99947	139.1
[M+K]+	226.92881	141.2
[M-H]-	186.95837	130.8
[M+Na-2H]-	208.94032	138.3
[M]+	187.96510	133.4
[M]-	187.96620	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe