CID 49768233

6-fluoro-3-(4-methoxyphenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H10FNO4
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)F)OC2=O
InChI
InChI=1S/C15H10FNO4/c1-20-11-5-3-10(4-6-11)17-14(18)12-8-9(16)2-7-13(12)21-15(17)19/h2-8H,1H3
InChIKey
NKSHNBRYGWOCJX-UHFFFAOYSA-N
Compound name
6-fluoro-3-(4-methoxyphenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.0594 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06668 159.7
[M+Na]+ 310.04862 172.3
[M-H]- 286.05212 166.8
[M+NH4]+ 305.09322 174.1
[M+K]+ 326.02256 169.1
[M+H-H2O]+ 270.05666 150.1
[M+HCOO]- 332.05760 181.2
[M+CH3COO]- 346.07325 201.1
[M+Na-2H]- 308.03407 166.7
[M]+ 287.05885 164.2
[M]- 287.05995 164.2
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

No patent data available for this compound.