CID 5273703

6-bromo-3-[(4-fluorophenyl)methyl]-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H9BrFNO3
SMILES
C1=CC(=CC=C1CN2C(=O)C3=C(C=CC(=C3)Br)OC2=O)F
InChI
InChI=1S/C15H9BrFNO3/c16-10-3-6-13-12(7-10)14(19)18(15(20)21-13)8-9-1-4-11(17)5-2-9/h1-7H,8H2
InChIKey
XEXVODLJRVXJCD-UHFFFAOYSA-N
Compound name
6-bromo-3-[(4-fluorophenyl)methyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.97498 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.98226 167.9
[M+Na]+ 371.96420 182.5
[M-H]- 347.96770 177.0
[M+NH4]+ 367.00880 183.7
[M+K]+ 387.93814 171.3
[M+H-H2O]+ 331.97224 165.2
[M+HCOO]- 393.97318 186.7
[M+CH3COO]- 407.98883 182.3
[M+Na-2H]- 369.94965 175.4
[M]+ 348.97443 189.3
[M]- 348.97553 189.3
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.