CID 708482

2-(4-fluorophenyl)-4h-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C14H8FNO2
SMILES
C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H8FNO2/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(17)18-13/h1-8H
InChIKey
FWPIOVHFUGZTPA-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

26
Patents

241.05391 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06119 150.8
[M+Na]+ 264.04313 168.0
[M+NH4]+ 259.08773 159.5
[M+K]+ 280.01707 159.7
[M-H]- 240.04663 155.9
[M+Na-2H]- 262.02858 160.3
[M]+ 241.05336 154.9
[M]- 241.05446 154.9
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