CID 24707978

7-bromo-3,4-dihydroquinoxalin-2(1h)-one

Structural Information

Molecular Formula

C₈H₇BrN₂O

SMILES

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

InChI

InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)

InChIKey

ZITQQDFTRWZLSH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 225.97418 Da
Monoisotopic Mass: 1.6
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]+	226.98146	140.5
[M+Na]+	248.96340	143.9
[M+NH4]+	244.00800	145.1
[M+K]+	264.93734	143.9
[M-H]-	224.96690	139.9
[M+Na-2H]-	246.94885	142.8
[M]+	225.97363	139.5
[M]-	225.97473	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe