CID 10871195

Ethyl 4-(6-fluoro-2,4-dioxo-1,3-benzoxazin-3-yl)benzoate

Structural Information

Molecular Formula
C17H12FNO5
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)F)OC2=O
InChI
InChI=1S/C17H12FNO5/c1-2-23-16(21)10-3-6-12(7-4-10)19-15(20)13-9-11(18)5-8-14(13)24-17(19)22/h3-9H,2H2,1H3
InChIKey
OWIAPCOTHSSSBW-UHFFFAOYSA-N
Compound name
ethyl 4-(6-fluoro-2,4-dioxo-1,3-benzoxazin-3-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.06995 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07723 170.8
[M+Na]+ 352.05917 182.2
[M-H]- 328.06267 177.7
[M+NH4]+ 347.10377 183.2
[M+K]+ 368.03311 179.3
[M+H-H2O]+ 312.06721 160.7
[M+HCOO]- 374.06815 190.9
[M+CH3COO]- 388.08380 208.8
[M+Na-2H]- 350.04462 175.7
[M]+ 329.06940 175.9
[M]- 329.07050 175.9
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

No patent data available for this compound.