CID 11033044

7-chloro-3-phenyl-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C14H8ClNO3
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)OC2=O
InChI
InChI=1S/C14H8ClNO3/c15-9-6-7-11-12(8-9)19-14(18)16(13(11)17)10-4-2-1-3-5-10/h1-8H
InChIKey
JPTUJOPOEXGMFJ-UHFFFAOYSA-N
Compound name
7-chloro-3-phenyl-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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]+ 274.02654 154.9
[M+Na]+ 296.00848 167.9
[M-H]- 272.01198 162.9
[M+NH4]+ 291.05308 170.7
[M+K]+ 311.98242 163.2
[M+H-H2O]+ 256.01652 147.2
[M+HCOO]- 318.01746 173.1
[M+CH3COO]- 332.03311 168.8
[M+Na-2H]- 293.99393 163.3
[M]+ 273.01871 160.5
[M]- 273.01981 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.