CID 49768220

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

Structural Information

Molecular Formula
C14H7BrFNO3
SMILES
C1=CC(=CC(=C1)F)N2C(=O)C3=C(C=CC(=C3)Br)OC2=O
InChI
InChI=1S/C14H7BrFNO3/c15-8-4-5-12-11(6-8)13(18)17(14(19)20-12)10-3-1-2-9(16)7-10/h1-7H
InChIKey
PFQKGRHYXBFQLS-UHFFFAOYSA-N
Compound name
6-bromo-3-(3-fluorophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.95932 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.96660 163.1
[M+Na]+ 357.94854 178.2
[M-H]- 333.95204 172.5
[M+NH4]+ 352.99314 179.5
[M+K]+ 373.92248 167.2
[M+H-H2O]+ 317.95658 160.7
[M+HCOO]- 379.95752 182.3
[M+CH3COO]- 393.97317 178.0
[M+Na-2H]- 355.93399 171.2
[M]+ 334.95877 184.2
[M]- 334.95987 184.2
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.