CID 11287584

75680-93-2

Structural Information

Molecular Formula

C₈H₇ClN₄O₂

SMILES

CCOC(=O)C1=NN=C2N1N=C(C=C2)Cl

InChI

InChI=1S/C8H7ClN4O2/c1-2-15-8(14)7-11-10-6-4-3-5(9)12-13(6)7/h3-4H,2H2,1H3

InChIKey

ZDUBOXQUQKOFHJ-UHFFFAOYSA-N

Compound name

ethyl 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 226.02576 Da
Monoisotopic Mass: 1.3
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]+	227.03304	143.4
[M+Na]+	249.01498	157.8
[M+NH4]+	244.05958	150.2
[M+K]+	264.98892	153.9
[M-H]-	225.01848	142.5
[M+Na-2H]-	247.00043	149.3
[M]+	226.02521	145.3
[M]-	226.02631	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe