CID 13524888

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

Structural Information

Molecular Formula
C22H14F3NO3
SMILES
C1=CC=C(C=C1)C(=O)N2C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C22H14F3NO3/c23-22(24,25)16-12-10-15(11-13-16)21-26(19(27)14-6-2-1-3-7-14)20(28)17-8-4-5-9-18(17)29-21/h1-13,21H
InChIKey
HFRWZPDTOOBZBN-UHFFFAOYSA-N
Compound name
3-benzoyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.0926 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.09988 193.2
[M+Na]+ 420.08182 201.4
[M-H]- 396.08532 199.0
[M+NH4]+ 415.12642 201.8
[M+K]+ 436.05576 196.0
[M+H-H2O]+ 380.08986 180.0
[M+HCOO]- 442.09080 205.5
[M+CH3COO]- 456.10645 201.7
[M+Na-2H]- 418.06727 195.7
[M]+ 397.09205 189.1
[M]- 397.09315 189.1
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.