CID 90459942

140911-21-3

Structural Information

Molecular Formula

C₈H₉BrN₂O

SMILES

C1CCC2=C(C1)NC(=O)C(=N2)Br

InChI

InChI=1S/C8H9BrN2O/c9-7-8(12)11-6-4-2-1-3-5(6)10-7/h1-4H2,(H,11,12)

InChIKey

PWTOWLSCRXUWQA-UHFFFAOYSA-N

Compound name

3-bromo-5,6,7,8-tetrahydro-1H-quinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 227.98982 Da
Monoisotopic Mass: 1.4
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]+	228.99710	139.9
[M+Na]+	250.97904	143.8
[M+NH4]+	246.02364	144.8
[M+K]+	266.95298	143.5
[M-H]-	226.98254	139.7
[M+Na-2H]-	248.96449	142.7
[M]+	227.98927	139.1
[M]-	227.99037	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe