CID 479915

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

Structural Information

Molecular Formula
C14H6Br3NO3
SMILES
C1=CC(=CC=C1N2C(=O)C3=C(C(=CC(=C3)Br)Br)OC2=O)Br
InChI
InChI=1S/C14H6Br3NO3/c15-7-1-3-9(4-2-7)18-13(19)10-5-8(16)6-11(17)12(10)21-14(18)20/h1-6H
InChIKey
SVIOMYYUINTZOW-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-(4-bromophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

472.7898 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.79708 151.8
[M+Na]+ 495.77902 160.2
[M-H]- 471.78252 159.5
[M+NH4]+ 490.82362 163.3
[M+K]+ 511.75296 147.4
[M+H-H2O]+ 455.78706 166.5
[M+HCOO]- 517.78800 161.2
[M+CH3COO]- 531.80365 162.8
[M+Na-2H]- 493.76447 157.6
[M]+ 472.78925 194.9
[M]- 472.79035 194.9
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.