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	144.6
[M-H]-	186.95837	129.5
[M+NH4]+	205.99947	149.0
[M+K]+	226.92881	139.5
[M+H-H2O]+	170.96291	122.6
[M+HCOO]-	232.96385	142.7
[M+CH3COO]-	246.97950	144.1
[M+Na-2H]-	208.94032	138.9
[M]+	187.96510	134.8
[M]-	187.96620	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe