CID 49768232

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

Structural Information

Molecular Formula
C14H7FN2O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C=CC(=C3)F)OC2=O
InChI
InChI=1S/C14H7FN2O5/c15-8-4-5-12-11(6-8)13(18)16(14(19)22-12)9-2-1-3-10(7-9)17(20)21/h1-7H
InChIKey
SDVXNEHGVXAYOQ-UHFFFAOYSA-N
Compound name
6-fluoro-3-(3-nitrophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.0339 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04118 161.1
[M+Na]+ 325.02312 171.8
[M-H]- 301.02662 168.2
[M+NH4]+ 320.06772 173.6
[M+K]+ 340.99706 164.7
[M+H-H2O]+ 285.03116 155.8
[M+HCOO]- 347.03210 183.5
[M+CH3COO]- 361.04775 197.5
[M+Na-2H]- 323.00857 170.3
[M]+ 302.03335 162.4
[M]- 302.03445 162.4
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.