CID 491321

8-chloro-7-methoxy-1h-quinoxalin-2-one

Structural Information

Molecular Formula
C9H7ClN2O2
SMILES
COC1=C(C2=C(C=C1)N=CC(=O)N2)Cl
InChI
InChI=1S/C9H7ClN2O2/c1-14-6-3-2-5-9(8(6)10)12-7(13)4-11-5/h2-4H,1H3,(H,12,13)
InChIKey
FUZDEZWVAFJHPX-UHFFFAOYSA-N
Compound name
8-chloro-7-methoxy-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.0196 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02688 138.6
[M+Na]+ 233.00882 150.8
[M-H]- 209.01232 139.9
[M+NH4]+ 228.05342 156.6
[M+K]+ 248.98276 145.7
[M+H-H2O]+ 193.01686 132.3
[M+HCOO]- 255.01780 154.9
[M+CH3COO]- 269.03345 182.2
[M+Na-2H]- 230.99427 147.1
[M]+ 210.01905 141.8
[M]- 210.02015 141.8
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.