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]+ 304.89198 138.6
[M+Na]+ 326.87392 149.3
[M-H]- 302.87742 141.9
[M+NH4]+ 321.91852 155.4
[M+K]+ 342.84786 132.9
[M+H-H2O]+ 286.88196 147.0
[M+HCOO]- 348.88290 149.3
[M+CH3COO]- 362.89855 151.4
[M+Na-2H]- 324.85937 146.3
[M]+ 303.88415 168.7
[M]- 303.88525 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.