CID 21919280

2245238-80-4

Structural Information

Molecular Formula

C₅H₂Cl₂N₂O₂

SMILES

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

InChI

InChI=1S/C5H2Cl2N2O2/c6-2-1-3(7)8-9-4(2)5(10)11/h1H,(H,10,11)

InChIKey

CYHNQEXUXBNNEI-UHFFFAOYSA-N

Compound name

4,6-dichloropyridazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
Patents: 191.94933 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]+	192.95661	128.6
[M+Na]+	214.93855	140.0
[M-H]-	190.94205	128.3
[M+NH4]+	209.98315	146.3
[M+K]+	230.91249	135.7
[M+H-H2O]+	174.94659	123.7
[M+HCOO]-	236.94753	140.3
[M+CH3COO]-	250.96318	177.1
[M+Na-2H]-	212.92400	134.9
[M]+	191.94878	131.2
[M]-	191.94988	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe