CID 75360939

8-fluoro-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C8H7FN2O
SMILES
C1C(=O)NC2=C(N1)C=CC=C2F
InChI
InChI=1S/C8H7FN2O/c9-5-2-1-3-6-8(5)11-7(12)4-10-6/h1-3,10H,4H2,(H,11,12)
InChIKey
PBAXRHGVEHLIDE-UHFFFAOYSA-N
Compound name
8-fluoro-3,4-dihydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

166.05424 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06152 132.0
[M+Na]+ 189.04346 140.7
[M-H]- 165.04696 129.8
[M+NH4]+ 184.08806 149.7
[M+K]+ 205.01740 135.9
[M+H-H2O]+ 149.05150 124.6
[M+HCOO]- 211.05244 147.6
[M+CH3COO]- 225.06809 143.6
[M+Na-2H]- 187.02891 139.0
[M]+ 166.05369 125.2
[M]- 166.05479 125.2
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