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

10
Patents

253.96909 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97637 140.4
[M+Na]+ 276.95831 155.5
[M-H]- 252.96181 144.9
[M+NH4]+ 272.00291 159.7
[M+K]+ 292.93225 143.2
[M+H-H2O]+ 236.96635 140.2
[M+HCOO]- 298.96729 159.2
[M+CH3COO]- 312.98294 188.9
[M+Na-2H]- 274.94376 149.6
[M]+ 253.96854 160.0
[M]- 253.96964 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe