CID 22912909

66367-11-1

Structural Information

Molecular Formula
C8H7FN2O
SMILES
C1C(=O)NC2=C(N1)C=CC(=C2)F
InChI
InChI=1S/C8H7FN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)
InChIKey
MKVHWJQPKMVYHA-UHFFFAOYSA-N
Compound name
7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
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

literature stripe

Patent stripe

patents stripe