CID 463043

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

Structural Information

Molecular Formula
C14H7Cl2NO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)O2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H7Cl2NO3/c15-10-6-5-8(7-11(10)16)17-13(18)9-3-1-2-4-12(9)20-14(17)19/h1-7H
InChIKey
WLEBITKPEWFHAN-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

306.9803 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.98758 160.8
[M+Na]+ 329.96952 174.9
[M-H]- 305.97302 168.3
[M+NH4]+ 325.01412 176.0
[M+K]+ 345.94346 169.4
[M+H-H2O]+ 289.97756 153.8
[M+HCOO]- 351.97850 173.8
[M+CH3COO]- 365.99415 174.2
[M+Na-2H]- 327.95497 167.7
[M]+ 306.97975 168.1
[M]- 306.98085 168.1
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.