CID 20227409

2-chloro-3-methoxyquinoxaline

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

COC1=NC2=CC=CC=C2N=C1Cl

InChI

InChI=1S/C9H7ClN2O/c1-13-9-8(10)11-6-4-2-3-5-7(6)12-9/h2-5H,1H3

InChIKey

TTXKLKHPMYZIAE-UHFFFAOYSA-N

Compound name

2-chloro-3-methoxyquinoxaline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 194.02469 Da
Monoisotopic Mass: 2.5
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]+	195.03197	136.1
[M+Na]+	217.01391	152.8
[M+NH4]+	212.05851	145.7
[M+K]+	232.98785	144.6
[M-H]-	193.01741	138.7
[M+Na-2H]-	214.99936	144.8
[M]+	194.02414	139.6
[M]-	194.02524	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe