CID 285323

66367-05-3

Structural Information

Molecular Formula

C₈H₇ClN₂O

SMILES

C1C(=O)NC2=C(N1)C=CC(=C2)Cl

InChI

InChI=1S/C8H7ClN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)

InChIKey

FYSLFQDLMDRXNP-UHFFFAOYSA-N

Compound name

7-chloro-3,4-dihydro-1H-quinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 182.02469 Da
Monoisotopic Mass: 1.5
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]+	183.03197	134.7
[M+Na]+	205.01391	144.0
[M-H]-	181.01741	133.6
[M+NH4]+	200.05851	152.6
[M+K]+	220.98785	138.0
[M+H-H2O]+	165.02195	128.8
[M+HCOO]-	227.02289	146.7
[M+CH3COO]-	241.03854	146.5
[M+Na-2H]-	202.99936	141.8
[M]+	182.02414	130.9
[M]-	182.02524	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe