CID 11067824

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
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

patents stripe