CID 491335

8-amino-3-(bromomethyl)-1h-quinoxalin-2-one

Structural Information

Molecular Formula
C9H8BrN3O
SMILES
C1=CC(=C2C(=C1)N=C(C(=O)N2)CBr)N
InChI
InChI=1S/C9H8BrN3O/c10-4-7-9(14)13-8-5(11)2-1-3-6(8)12-7/h1-3H,4,11H2,(H,13,14)
InChIKey
NZWWSZZQCYRUQJ-UHFFFAOYSA-N
Compound name
8-amino-3-(bromomethyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.98508 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.99236 143.5
[M+Na]+ 275.97430 156.6
[M-H]- 251.97780 147.0
[M+NH4]+ 271.01890 161.9
[M+K]+ 291.94824 143.6
[M+H-H2O]+ 235.98234 142.4
[M+HCOO]- 297.98328 162.2
[M+CH3COO]- 311.99893 157.6
[M+Na-2H]- 273.95975 152.6
[M]+ 252.98453 160.3
[M]- 252.98563 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.