CID 84629915

7-bromo-1-methyl-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C9H9BrN2O
SMILES
CN1C(=O)CNC2=C1C=C(C=C2)Br
InChI
InChI=1S/C9H9BrN2O/c1-12-8-4-6(10)2-3-7(8)11-5-9(12)13/h2-4,11H,5H2,1H3
InChIKey
IGSLUAVKYIONOZ-UHFFFAOYSA-N
Compound name
7-bromo-1-methyl-3,4-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

239.98982 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99710 143.8
[M+Na]+ 262.97904 147.8
[M+NH4]+ 258.02364 148.5
[M+K]+ 278.95298 147.5
[M-H]- 238.98254 143.7
[M+Na-2H]- 260.96449 146.2
[M]+ 239.98927 143.1
[M]- 239.99037 143.1
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