CID 5278383

2-[1,1,2-trifluoro-2-(4-phenylphenyl)ethyl]-1,3-benzoxazole

Structural Information

Molecular Formula
C21H14F3NO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C(C3=NC4=CC=CC=C4O3)(F)F)F
InChI
InChI=1S/C21H14F3NO/c22-19(16-12-10-15(11-13-16)14-6-2-1-3-7-14)21(23,24)20-25-17-8-4-5-9-18(17)26-20/h1-13,19H
InChIKey
HZQQDMUELGIMRK-UHFFFAOYSA-N
Compound name
2-[1,1,2-trifluoro-2-(4-phenylphenyl)ethyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.10275 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11003 180.4
[M+Na]+ 376.09197 189.8
[M-H]- 352.09547 186.9
[M+NH4]+ 371.13657 192.8
[M+K]+ 392.06591 183.9
[M+H-H2O]+ 336.10001 168.7
[M+HCOO]- 398.10095 197.6
[M+CH3COO]- 412.11660 190.9
[M+Na-2H]- 374.07742 184.7
[M]+ 353.10220 179.2
[M]- 353.10330 179.2
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.