CID 3846596

6-bromo-1-methylquinoxaline-2,3-dione

Structural Information

Molecular Formula

C₉H₇BrN₂O₂

SMILES

CN1C2=C(C=C(C=C2)Br)NC(=O)C1=O

InChI

InChI=1S/C9H7BrN2O2/c1-12-7-3-2-5(10)4-6(7)11-8(13)9(12)14/h2-4H,1H3,(H,11,13)

InChIKey

BROVAGOLEYHCJM-UHFFFAOYSA-N

Compound name

7-bromo-4-methyl-1H-quinoxaline-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 253.96909 Da
Monoisotopic Mass: 1.3
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]+	254.97637	143.2
[M+Na]+	276.95831	148.7
[M+NH4]+	272.00291	147.2
[M+K]+	292.93225	148.6
[M-H]-	252.96181	142.8
[M+Na-2H]-	274.94376	146.4
[M]+	253.96854	142.6
[M]-	253.96964	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe