CID 477128

6-chloro-4-phenyl-4-(trifluoromethyl)-1h-3,1-benzoxazin-2-one

Structural Information

Molecular Formula
C15H9ClF3NO2
SMILES
C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
InChI
InChI=1S/C15H9ClF3NO2/c16-10-6-7-12-11(8-10)14(15(17,18)19,22-13(21)20-12)9-4-2-1-3-5-9/h1-8H,(H,20,21)
InChIKey
WAWSNLWVMMWWBB-UHFFFAOYSA-N
Compound name
6-chloro-4-phenyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.0274 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.03468 168.5
[M+Na]+ 350.01662 179.3
[M-H]- 326.02012 170.5
[M+NH4]+ 345.06122 183.1
[M+K]+ 365.99056 173.2
[M+H-H2O]+ 310.02466 158.9
[M+HCOO]- 372.02560 177.0
[M+CH3COO]- 386.04125 178.9
[M+Na-2H]- 348.00207 174.9
[M]+ 327.02685 165.3
[M]- 327.02795 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.