CID 3146206

436088-67-4

Structural Information

Molecular Formula

C₁₀H₉ClN₂O₂

SMILES

C1C(=O)NC2=CC=CC=C2N1C(=O)CCl

InChI

InChI=1S/C10H9ClN2O2/c11-5-10(15)13-6-9(14)12-7-3-1-2-4-8(7)13/h1-4H,5-6H2,(H,12,14)

InChIKey

RNGJPXOEWSLROI-UHFFFAOYSA-N

Compound name

4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 224.03525 Da
Monoisotopic Mass: 0.9
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]+	225.04253	145.1
[M+Na]+	247.02447	158.4
[M+NH4]+	242.06907	152.8
[M+K]+	262.99841	152.0
[M-H]-	223.02797	145.5
[M+Na-2H]-	245.00992	150.1
[M]+	224.03470	147.2
[M]-	224.03580	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe