CID 479914

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

Structural Information

Molecular Formula
C15H9Br2NO3
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=C(C(=CC(=C3)Br)Br)OC2=O
InChI
InChI=1S/C15H9Br2NO3/c1-8-2-4-10(5-3-8)18-14(19)11-6-9(16)7-12(17)13(11)21-15(18)20/h2-7H,1H3
InChIKey
DPINLHSNTBTDGB-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

408.89493 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.90221 160.7
[M+Na]+ 431.88415 173.4
[M-H]- 407.88765 170.8
[M+NH4]+ 426.92875 175.4
[M+K]+ 447.85809 159.6
[M+H-H2O]+ 391.89219 167.8
[M+HCOO]- 453.89313 175.4
[M+CH3COO]- 467.90878 174.6
[M+Na-2H]- 429.86960 167.8
[M]+ 408.89438 198.1
[M]- 408.89548 198.1
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.