CID 11034580

7-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C16H10F3NO3
SMILES
CC1=CC2=C(C=C1)C(=O)N(C(=O)O2)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C16H10F3NO3/c1-9-2-7-12-13(8-9)23-15(22)20(14(12)21)11-5-3-10(4-6-11)16(17,18)19/h2-8H,1H3
InChIKey
DIMWNVANLFKBMN-UHFFFAOYSA-N
Compound name
7-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.06128 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.06856 169.1
[M+Na]+ 344.05050 182.0
[M-H]- 320.05400 173.6
[M+NH4]+ 339.09510 182.3
[M+K]+ 360.02444 177.5
[M+H-H2O]+ 304.05854 158.2
[M+HCOO]- 366.05948 186.3
[M+CH3COO]- 380.07513 207.1
[M+Na-2H]- 342.03595 175.1
[M]+ 321.06073 169.7
[M]- 321.06183 169.7
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.