CID 72214546

1-(3,6-dichloropyridazin-4-yl)ethan-1-one

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O

SMILES

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

InChI

InChI=1S/C6H4Cl2N2O/c1-3(11)4-2-5(7)9-10-6(4)8/h2H,1H3

InChIKey

ULSBGXGBXJVHJH-UHFFFAOYSA-N

Compound name

1-(3,6-dichloropyridazin-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 189.97006 Da
Monoisotopic Mass: 1.5
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]+	190.97734	132.6
[M+Na]+	212.95928	147.9
[M+NH4]+	208.00388	140.9
[M+K]+	228.93322	141.1
[M-H]-	188.96278	133.4
[M+Na-2H]-	210.94473	139.9
[M]+	189.96951	135.6
[M]-	189.97061	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe