CID 11782321

6-fluoro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H7F4NO3
SMILES
C1=CC(=CC=C1C(F)(F)F)N2C(=O)C3=C(C=CC(=C3)F)OC2=O
InChI
InChI=1S/C15H7F4NO3/c16-9-3-6-12-11(7-9)13(21)20(14(22)23-12)10-4-1-8(2-5-10)15(17,18)19/h1-7H
InChIKey
OPRCSUDOPINSFY-UHFFFAOYSA-N
Compound name
6-fluoro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.0362 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.04348 167.8
[M+Na]+ 348.02542 181.3
[M-H]- 324.02892 171.1
[M+NH4]+ 343.07002 180.8
[M+K]+ 363.99936 176.5
[M+H-H2O]+ 308.03346 156.1
[M+HCOO]- 370.03440 184.2
[M+CH3COO]- 384.05005 206.9
[M+Na-2H]- 346.01087 173.7
[M]+ 325.03565 166.9
[M]- 325.03675 166.9
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.