CID 49768228

3-(3,4-dichlorophenyl)-6-fluoro-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C14H6Cl2FNO3
SMILES
C1=CC(=C(C=C1N2C(=O)C3=C(C=CC(=C3)F)OC2=O)Cl)Cl
InChI
InChI=1S/C14H6Cl2FNO3/c15-10-3-2-8(6-11(10)16)18-13(19)9-5-7(17)1-4-12(9)21-14(18)20/h1-6H
InChIKey
MDMSKYJJHISCOS-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-6-fluoro-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.9709 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.97818 163.4
[M+Na]+ 347.96012 178.4
[M-H]- 323.96362 169.8
[M+NH4]+ 343.00472 178.0
[M+K]+ 363.93406 172.5
[M+H-H2O]+ 307.96816 155.6
[M+HCOO]- 369.96910 175.3
[M+CH3COO]- 383.98475 176.5
[M+Na-2H]- 345.94557 168.9
[M]+ 324.97035 170.1
[M]- 324.97145 170.1
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.