CID 12283436

Ethyl 3-chloroquinoxaline-2-carboxylate

Structural Information

Molecular Formula

C₁₁H₉ClN₂O₂

SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1Cl

InChI

InChI=1S/C11H9ClN2O2/c1-2-16-11(15)9-10(12)14-8-6-4-3-5-7(8)13-9/h3-6H,2H2,1H3

InChIKey

YGTZHKWLTOJGOI-UHFFFAOYSA-N

Compound name

ethyl 3-chloroquinoxaline-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 236.03525 Da
Monoisotopic Mass: 2.7
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]+	237.04253	147.5
[M+Na]+	259.02447	163.0
[M+NH4]+	254.06907	155.8
[M+K]+	274.99841	155.6
[M-H]-	235.02797	149.0
[M+Na-2H]-	257.00992	154.7
[M]+	236.03470	150.4
[M]-	236.03580	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe