CID 16206247

2,3-dihydro-3-(4-chlorobenzoyl)-2-(4-(trifluoromethyl)phenyl)-4h-1,3-benzoxazin-4-one

Structural Information

Molecular Formula
C22H13ClF3NO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C(O2)C3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H13ClF3NO3/c23-16-11-7-13(8-12-16)19(28)27-20(29)17-3-1-2-4-18(17)30-21(27)14-5-9-15(10-6-14)22(24,25)26/h1-12,21H
InChIKey
VOWSZMMXWDJVBA-UHFFFAOYSA-N
Compound name
3-(4-chlorobenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.05362 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.06090 199.2
[M+Na]+ 454.04284 212.5
[M+NH4]+ 449.08744 204.3
[M+K]+ 470.01678 205.1
[M-H]- 430.04634 201.3
[M+Na-2H]- 452.02829 204.9
[M]+ 431.05307 201.9
[M]- 431.05417 201.9
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.