CID 478815

3-(4-fluorophenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C14H8FNO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)O2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H8FNO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)19-14(16)18/h1-8H
InChIKey
NEUSWOUOCVIFAJ-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

257.04883 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05611 151.7
[M+Na]+ 280.03805 164.1
[M-H]- 256.04155 158.6
[M+NH4]+ 275.08265 167.2
[M+K]+ 296.01199 160.4
[M+H-H2O]+ 240.04609 142.4
[M+HCOO]- 302.04703 173.4
[M+CH3COO]- 316.06268 165.4
[M+Na-2H]- 278.02350 160.0
[M]+ 257.04828 154.0
[M]- 257.04938 154.0
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

No patent data available for this compound.