CID 463048

6-bromo-3-phenyl-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C14H8BrNO3
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)OC2=O
InChI
InChI=1S/C14H8BrNO3/c15-9-6-7-12-11(8-9)13(17)16(14(18)19-12)10-4-2-1-3-5-10/h1-8H
InChIKey
XHESMZIPFVGGCO-UHFFFAOYSA-N
Compound name
6-bromo-3-phenyl-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.96875 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.97603 158.6
[M+Na]+ 339.95797 172.8
[M-H]- 315.96147 168.9
[M+NH4]+ 335.00257 175.5
[M+K]+ 355.93191 162.3
[M+H-H2O]+ 299.96601 157.1
[M+HCOO]- 361.96695 178.9
[M+CH3COO]- 375.98260 173.8
[M+Na-2H]- 337.94342 168.1
[M]+ 316.96820 180.3
[M]- 316.96930 180.3
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.