CID 478813

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

Structural Information

Molecular Formula
C14H8ClNO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)O2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H8ClNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)19-14(16)18/h1-8H
InChIKey
ZVXWDSQMDYEXSU-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

273.01926 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.026536 154.9
[M+Na]+ 296.008478 167.9
[M-H]- 272.011984 162.9
[M+NH4]+ 291.053083 170.7
[M+K]+ 311.982418 163.2
[M+H-H2O]+ 256.016520 147.2
[M+HCOO]- 318.017461 173.1
[M+CH3COO]- 332.033111 168.8
[M+Na-2H]- 293.993926 163.3
[M]+ 273.01871142 160.5
[M]- 273.01980858 160.5
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.