CID 3846596

90484-35-8

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: 8
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]+	254.976366	140.4
[M+Na]+	276.958308	155.5
[M-H]-	252.961814	144.9
[M+NH4]+	272.002913	159.7
[M+K]+	292.932248	143.2
[M+H-H2O]+	236.966350	140.2
[M+HCOO]-	298.967291	159.2
[M+CH3COO]-	312.982941	188.9
[M+Na-2H]-	274.943756	149.6
[M]+	253.96854142	160.0
[M]-	253.96963858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe