CID 49768216

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

Structural Information

Molecular Formula
C14H7BrClNO3
SMILES
C1=CC(=CC(=C1)Cl)N2C(=O)C3=C(C=CC(=C3)Br)OC2=O
InChI
InChI=1S/C14H7BrClNO3/c15-8-4-5-12-11(6-8)13(18)17(14(19)20-12)10-3-1-2-9(16)7-10/h1-7H
InChIKey
ABQGFSSKRDRKNK-UHFFFAOYSA-N
Compound name
6-bromo-3-(3-chlorophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.92978 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.93706 163.6
[M+Na]+ 373.91900 179.6
[M-H]- 349.92250 174.1
[M+NH4]+ 368.96360 180.4
[M+K]+ 389.89294 167.6
[M+H-H2O]+ 333.92704 162.8
[M+HCOO]- 395.92798 179.4
[M+CH3COO]- 409.94363 178.8
[M+Na-2H]- 371.90445 172.1
[M]+ 350.92923 187.8
[M]- 350.93033 187.8
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.