CID 14423644

6,7-dibromo-1,2-dihydroquinoxalin-2-one

Structural Information

Molecular Formula

C₈H₄Br₂N₂O

SMILES

C1=C2C(=CC(=C1Br)Br)N=CC(=O)N2

InChI

InChI=1S/C8H4Br2N2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-3H,(H,12,13)

InChIKey

ZMQUHZGMULKJKD-UHFFFAOYSA-N

Compound name

6,7-dibromo-1H-quinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 301.86905 Da
Monoisotopic Mass: 2.2
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]+	302.87633	133.6
[M+Na]+	324.85827	146.3
[M-H]-	300.86177	138.6
[M+NH4]+	319.90287	151.3
[M+K]+	340.83221	130.5
[M+H-H2O]+	284.86631	142.1
[M+HCOO]-	346.86725	147.8
[M+CH3COO]-	360.88290	148.0
[M+Na-2H]-	322.84372	143.5
[M]+	301.86850	167.4
[M]-	301.86960	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe