CID 479920

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

Structural Information

Molecular Formula
C14H6Br2N2O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C(=CC(=C3)Br)Br)OC2=O
InChI
InChI=1S/C14H6Br2N2O5/c15-7-4-10-12(11(16)5-7)23-14(20)17(13(10)19)8-2-1-3-9(6-8)18(21)22/h1-6H
InChIKey
MUOGIACPDAMTAX-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-(3-nitrophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

439.86435 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.87163 170.7
[M+Na]+ 462.85357 181.4
[M-H]- 438.85707 180.5
[M+NH4]+ 457.89817 183.1
[M+K]+ 478.82751 164.7
[M+H-H2O]+ 422.86161 179.6
[M+HCOO]- 484.86255 185.9
[M+CH3COO]- 498.87820 218.4
[M+Na-2H]- 460.83902 178.8
[M]+ 439.86380 207.5
[M]- 439.86490 207.5
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.