CID 749285

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
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

patents stripe