CID 49768218

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

Structural Information

Molecular Formula
C14H7Br2NO3
SMILES
C1=CC(=CC=C1N2C(=O)C3=C(C=CC(=C3)Br)OC2=O)Br
InChI
InChI=1S/C14H7Br2NO3/c15-8-1-4-10(5-2-8)17-13(18)11-7-9(16)3-6-12(11)20-14(17)19/h1-7H
InChIKey
JDLPVBZLNNVDGT-UHFFFAOYSA-N
Compound name
6-bromo-3-(4-bromophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.87927 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.88655 156.8
[M+Na]+ 417.86849 169.3
[M-H]- 393.87199 166.8
[M+NH4]+ 412.91309 171.8
[M+K]+ 433.84243 155.7
[M+H-H2O]+ 377.87653 164.2
[M+HCOO]- 439.87747 171.9
[M+CH3COO]- 453.89312 170.8
[M+Na-2H]- 415.85394 165.0
[M]+ 394.87872 193.7
[M]- 394.87982 193.7
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.