CID 479916

6,8-dibromo-3-(4-methoxyphenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H9Br2NO4
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=C(C(=CC(=C3)Br)Br)OC2=O
InChI
InChI=1S/C15H9Br2NO4/c1-21-10-4-2-9(3-5-10)18-14(19)11-6-8(16)7-12(17)13(11)22-15(18)20/h2-7H,1H3
InChIKey
TYQJTOOCMATGJG-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-(4-methoxyphenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

424.88983 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.89711 162.6
[M+Na]+ 447.87905 174.9
[M-H]- 423.88255 172.6
[M+NH4]+ 442.92365 176.6
[M+K]+ 463.85299 161.7
[M+H-H2O]+ 407.88709 169.3
[M+HCOO]- 469.88803 177.3
[M+CH3COO]- 483.90368 221.2
[M+Na-2H]- 445.86450 169.7
[M]+ 424.88928 200.9
[M]- 424.89038 200.9
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.