CID 54758768

1221502-66-4

Structural Information

Molecular Formula
C8H6FNO2
SMILES
C1C(=O)NC2=C(O1)C=CC=C2F
InChI
InChI=1S/C8H6FNO2/c9-5-2-1-3-6-8(5)10-7(11)4-12-6/h1-3H,4H2,(H,10,11)
InChIKey
PPGFMQYLGBSWLA-UHFFFAOYSA-N
Compound name
5-fluoro-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

167.03825 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.045526 129.2
[M+Na]+ 190.027468 138.4
[M-H]- 166.030974 130.6
[M+NH4]+ 185.072073 147.7
[M+K]+ 206.001408 136.2
[M+H-H2O]+ 150.035510 122.2
[M+HCOO]- 212.036451 147.0
[M+CH3COO]- 226.052101 174.6
[M+Na-2H]- 188.012916 137.6
[M]+ 167.03770142 125.8
[M]- 167.03879858 125.8
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