CID 5278388

2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-(4-phenylphenyl)ethanone

Structural Information

Molecular Formula
C21H13F2NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(C3=NC4=CC=CC=C4O3)(F)F
InChI
InChI=1S/C21H13F2NO2/c22-21(23,20-24-17-8-4-5-9-18(17)26-20)19(25)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKey
PRNKAAUINZVRHG-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-(4-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.09143 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09871 179.7
[M+Na]+ 372.08065 189.2
[M-H]- 348.08415 187.7
[M+NH4]+ 367.12525 192.1
[M+K]+ 388.05459 183.8
[M+H-H2O]+ 332.08869 168.9
[M+HCOO]- 394.08963 198.3
[M+CH3COO]- 408.10528 190.7
[M+Na-2H]- 370.06610 184.8
[M]+ 349.09088 180.2
[M]- 349.09198 180.2
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.