CID 49768225

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

Structural Information

Molecular Formula
C15H10FNO3
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)F)OC2=O
InChI
InChI=1S/C15H10FNO3/c1-9-2-5-11(6-3-9)17-14(18)12-8-10(16)4-7-13(12)20-15(17)19/h2-8H,1H3
InChIKey
BIIPGTRDODGGGK-UHFFFAOYSA-N
Compound name
6-fluoro-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.06448 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07176 156.6
[M+Na]+ 294.05370 169.4
[M-H]- 270.05720 163.7
[M+NH4]+ 289.09830 171.8
[M+K]+ 310.02764 165.5
[M+H-H2O]+ 254.06174 147.3
[M+HCOO]- 316.06268 177.9
[M+CH3COO]- 330.07833 170.2
[M+Na-2H]- 292.03915 163.6
[M]+ 271.06393 159.6
[M]- 271.06503 159.6
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.