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 142.7
[M+Na]+ 262.97904 155.0
[M-H]- 238.98254 146.1
[M+NH4]+ 258.02364 162.2
[M+K]+ 278.95298 143.0
[M+H-H2O]+ 222.98708 142.4
[M+HCOO]- 284.98802 158.4
[M+CH3COO]- 299.00367 187.1
[M+Na-2H]- 260.96449 150.5
[M]+ 239.98927 158.5
[M]- 239.99037 158.5
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