CID 5273705

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

Structural Information

Molecular Formula
C15H9ClFNO3
SMILES
C1=CC(=CC=C1CN2C(=O)C3=C(C=C(C=C3)Cl)OC2=O)F
InChI
InChI=1S/C15H9ClFNO3/c16-10-3-6-12-13(7-10)21-15(20)18(14(12)19)8-9-1-4-11(17)5-2-9/h1-7H,8H2
InChIKey
PKAKKLDUMOEXFK-UHFFFAOYSA-N
Compound name
7-chloro-3-[(4-fluorophenyl)methyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.0255 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.03278 162.7
[M+Na]+ 328.01472 176.3
[M-H]- 304.01822 169.6
[M+NH4]+ 323.05932 177.5
[M+K]+ 343.98866 170.9
[M+H-H2O]+ 288.02276 154.0
[M+HCOO]- 350.02370 179.5
[M+CH3COO]- 364.03935 175.9
[M+Na-2H]- 326.00017 169.2
[M]+ 305.02495 168.1
[M]- 305.02605 168.1
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.