CID 49768217

6-bromo-3-(3,4-dichlorophenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C14H6BrCl2NO3
SMILES
C1=CC(=C(C=C1N2C(=O)C3=C(C=CC(=C3)Br)OC2=O)Cl)Cl
InChI
InChI=1S/C14H6BrCl2NO3/c15-7-1-4-12-9(5-7)13(19)18(14(20)21-12)8-2-3-10(16)11(17)6-8/h1-6H
InChIKey
ABTWTOUMMROGHN-UHFFFAOYSA-N
Compound name
6-bromo-3-(3,4-dichlorophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.8908 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.89808 167.5
[M+Na]+ 407.88002 184.8
[M-H]- 383.88352 177.6
[M+NH4]+ 402.92462 183.8
[M+K]+ 423.85396 171.9
[M+H-H2O]+ 367.88806 167.3
[M+HCOO]- 429.88900 178.4
[M+CH3COO]- 443.90465 182.4
[M+Na-2H]- 405.86547 174.8
[M]+ 384.89025 193.0
[M]- 384.89135 193.0
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.