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 199.1
[M+Na]+ 454.04284 208.9
[M-H]- 430.04634 205.0
[M+NH4]+ 449.08744 207.5
[M+K]+ 470.01678 202.3
[M+H-H2O]+ 414.05088 186.4
[M+HCOO]- 476.05182 206.9
[M+CH3COO]- 490.06747 207.6
[M+Na-2H]- 452.02829 200.5
[M]+ 431.05307 198.1
[M]- 431.05417 198.1
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.