CID 13524893

103952-87-0

Structural Information

Molecular Formula
C23H13F6NO3
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)C(F)(F)F
InChI
InChI=1S/C23H13F6NO3/c24-22(25,26)15-9-5-13(6-10-15)19(31)30-20(32)17-3-1-2-4-18(17)33-21(30)14-7-11-16(12-8-14)23(27,28)29/h1-12,21H
InChIKey
LOMCOOAQPYRTHS-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethyl)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

465.07996 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.08724 208.9
[M+Na]+ 488.06918 218.2
[M-H]- 464.07268 211.1
[M+NH4]+ 483.11378 214.9
[M+K]+ 504.04312 211.9
[M+H-H2O]+ 448.07722 193.4
[M+HCOO]- 510.07816 215.9
[M+CH3COO]- 524.09381 232.6
[M+Na-2H]- 486.05463 209.3
[M]+ 465.07941 201.5
[M]- 465.08051 201.5
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.