CID 10352425

75680-92-1

Structural Information

Molecular Formula

C₇H₇ClN₂O₂

SMILES

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

InChI

InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-4-6(8)10-9-5/h3-4H,2H2,1H3

InChIKey

GVSVPKDEHFOXSW-UHFFFAOYSA-N

Compound name

ethyl 6-chloropyridazine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 186.0196 Da
Monoisotopic Mass: 0.1
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]+	187.02688	133.4
[M+Na]+	209.00882	143.4
[M-H]-	185.01232	134.5
[M+NH4]+	204.05342	151.5
[M+K]+	224.98276	140.7
[M+H-H2O]+	169.01686	126.9
[M+HCOO]-	231.01780	151.0
[M+CH3COO]-	245.03345	179.0
[M+Na-2H]-	206.99427	140.5
[M]+	186.01905	137.3
[M]-	186.02015	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe