CID 10957265

7-chloro-3-(4-fluorophenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C14H7ClFNO3
SMILES
C1=CC(=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)OC2=O)F
InChI
InChI=1S/C14H7ClFNO3/c15-8-1-6-11-12(7-8)20-14(19)17(13(11)18)10-4-2-9(16)3-5-10/h1-7H
InChIKey
PTQXUECZQMUKKZ-UHFFFAOYSA-N
Compound name
7-chloro-3-(4-fluorophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.00986 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.01714 157.9
[M+Na]+ 313.99908 171.9
[M-H]- 290.00258 164.9
[M+NH4]+ 309.04368 173.2
[M+K]+ 329.97302 166.8
[M+H-H2O]+ 274.00712 149.4
[M+HCOO]- 336.00806 175.0
[M+CH3COO]- 350.02371 171.6
[M+Na-2H]- 311.98453 165.0
[M]+ 291.00931 162.9
[M]- 291.01041 162.9
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.