CID 11759643

7-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H7ClF3NO3
SMILES
C1=CC(=CC=C1C(F)(F)F)N2C(=O)C3=C(C=C(C=C3)Cl)OC2=O
InChI
InChI=1S/C15H7ClF3NO3/c16-9-3-6-11-12(7-9)23-14(22)20(13(11)21)10-4-1-8(2-5-10)15(17,18)19/h1-7H
InChIKey
OJCFVSRFMFMJRJ-UHFFFAOYSA-N
Compound name
7-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.00665 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.01393 169.7
[M+Na]+ 363.99587 183.8
[M-H]- 339.99937 174.1
[M+NH4]+ 359.04047 183.0
[M+K]+ 379.96981 178.0
[M+H-H2O]+ 324.00391 159.4
[M+HCOO]- 386.00485 182.6
[M+CH3COO]- 400.02050 207.7
[M+Na-2H]- 361.98132 175.8
[M]+ 341.00610 172.3
[M]- 341.00720 172.3
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.