CID 479926

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

Structural Information

Molecular Formula
C14H6Cl3NO3
SMILES
C1=CC(=CC=C1N2C(=O)C3=C(C(=CC(=C3)Cl)Cl)OC2=O)Cl
InChI
InChI=1S/C14H6Cl3NO3/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
GDGDAUAQUGCVLV-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-(4-chlorophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

340.9413 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.94858 166.5
[M+Na]+ 363.93052 181.1
[M-H]- 339.93402 172.8
[M+NH4]+ 358.97512 180.6
[M+K]+ 379.90446 175.3
[M+H-H2O]+ 323.93856 160.2
[M+HCOO]- 385.93950 173.9
[M+CH3COO]- 399.95515 178.9
[M+Na-2H]- 361.91597 171.4
[M]+ 340.94075 174.3
[M]- 340.94185 174.3
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.