CID 479919

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

Structural Information

Molecular Formula
C14H6Br2ClNO3
SMILES
C1=CC(=CC(=C1)Cl)N2C(=O)C3=C(C(=CC(=C3)Br)Br)OC2=O
InChI
InChI=1S/C14H6Br2ClNO3/c15-7-4-10-12(11(16)5-7)21-14(20)18(13(10)19)9-3-1-2-8(17)6-9/h1-6H
InChIKey
UDCGNGFBWNQMQX-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-(3-chlorophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

428.8403 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.84758 161.5
[M+Na]+ 451.82952 175.6
[M-H]- 427.83302 171.6
[M+NH4]+ 446.87412 176.4
[M+K]+ 467.80346 160.6
[M+H-H2O]+ 411.83756 169.3
[M+HCOO]- 473.83850 172.8
[M+CH3COO]- 487.85415 175.5
[M+Na-2H]- 449.81497 168.8
[M]+ 428.83975 200.2
[M]- 428.84085 200.2
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.