CID 5273706

Chembl1172647

Structural Information

Molecular Formula
C15H9Cl2NO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)O2)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H9Cl2NO3/c16-11-6-5-9(7-12(11)17)8-18-14(19)10-3-1-2-4-13(10)21-15(18)20/h1-7H,8H2
InChIKey
DWKGKUSUIKZFHR-UHFFFAOYSA-N
Compound name
3-[(3,4-dichlorophenyl)methyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

320.99594 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00322 165.6
[M+Na]+ 343.98516 179.2
[M-H]- 319.98866 172.9
[M+NH4]+ 339.02976 180.2
[M+K]+ 359.95910 173.5
[M+H-H2O]+ 303.99320 158.3
[M+HCOO]- 365.99414 178.2
[M+CH3COO]- 380.00979 178.5
[M+Na-2H]- 341.97061 171.8
[M]+ 320.99539 173.2
[M]- 320.99649 173.2
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.