CID 165945952

6,7-dibromo-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C8H6Br2N2O
SMILES
C1C(=O)NC2=CC(=C(C=C2N1)Br)Br
InChI
InChI=1S/C8H6Br2N2O/c9-4-1-6-7(2-5(4)10)12-8(13)3-11-6/h1-2,11H,3H2,(H,12,13)
InChIKey
KJOVSTLYZILWNU-UHFFFAOYSA-N
Compound name
6,7-dibromo-3,4-dihydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.8847 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.891976 138.6
[M+Na]+ 326.873918 149.3
[M-H]- 302.877424 141.9
[M+NH4]+ 321.918523 155.4
[M+K]+ 342.847858 132.9
[M+H-H2O]+ 286.881960 147.0
[M+HCOO]- 348.882901 149.3
[M+CH3COO]- 362.898551 151.4
[M+Na-2H]- 324.859366 146.3
[M]+ 303.88415142 168.7
[M]- 303.88524858 168.7
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

No patent data available for this compound.