CID 145913460

1800231-80-4

Structural Information

Molecular Formula

C₁₀H₁₁FN₂O₂

SMILES

CCOC(=O)C1=NN=C(C(=C1)F)C2CC2

InChI

InChI=1S/C10H11FN2O2/c1-2-15-10(14)8-5-7(11)9(13-12-8)6-3-4-6/h5-6H,2-4H2,1H3

InChIKey

NISZYSHGTWPWRQ-UHFFFAOYSA-N

Compound name

ethyl 6-cyclopropyl-5-fluoropyridazine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.08046 Da
Monoisotopic Mass: 1.1
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]+	211.087736	148.7
[M+Na]+	233.069678	159.4
[M-H]-	209.073184	152.5
[M+NH4]+	228.114283	160.3
[M+K]+	249.043618	155.6
[M+H-H2O]+	193.077720	139.5
[M+HCOO]-	255.078661	169.4
[M+CH3COO]-	269.094311	189.6
[M+Na-2H]-	231.055126	153.0
[M]+	210.07991142	151.9
[M]-	210.08100858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.