CID 15657915

Ethyl 3,6-dichloropyridazine-4-carboxylate

Structural Information

Molecular Formula

C₇H₆Cl₂N₂O₂

SMILES

CCOC(=O)C1=CC(=NN=C1Cl)Cl

InChI

InChI=1S/C7H6Cl2N2O2/c1-2-13-7(12)4-3-5(8)10-11-6(4)9/h3H,2H2,1H3

InChIKey

KVWIASCXKZVAQG-UHFFFAOYSA-N

Compound name

ethyl 3,6-dichloropyridazine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 219.98064 Da
Monoisotopic Mass: 2.0
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]+	220.98792	139.8
[M+Na]+	242.96986	154.5
[M+NH4]+	238.01446	147.4
[M+K]+	258.94380	148.0
[M-H]-	218.97336	140.1
[M+Na-2H]-	240.95531	146.4
[M]+	219.98009	142.5
[M]-	219.98119	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe