CID 60019123

3-chloro-1-ethyl-1,2-dihydroquinoxalin-2-one

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

CCN1C2=CC=CC=C2N=C(C1=O)Cl

InChI

InChI=1S/C10H9ClN2O/c1-2-13-8-6-4-3-5-7(8)12-9(11)10(13)14/h3-6H,2H2,1H3

InChIKey

IXOBNBZVJNXHJF-UHFFFAOYSA-N

Compound name

3-chloro-1-ethylquinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 208.04034 Da
Monoisotopic Mass: 2.3
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]+	209.04762	139.9
[M+Na]+	231.02956	152.2
[M-H]-	207.03306	142.3
[M+NH4]+	226.07416	158.7
[M+K]+	247.00350	147.1
[M+H-H2O]+	191.03760	133.2
[M+HCOO]-	253.03854	157.1
[M+CH3COO]-	267.05419	153.7
[M+Na-2H]-	229.01501	148.2
[M]+	208.03979	143.8
[M]-	208.04089	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe