CID 5278392

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

Structural Information

Molecular Formula
C21H13F4NO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C(C3=NC4=CC=CC=C4O3)(F)F)(F)F
InChI
InChI=1S/C21H13F4NO/c22-20(23,16-12-10-15(11-13-16)14-6-2-1-3-7-14)21(24,25)19-26-17-8-4-5-9-18(17)27-19/h1-13H
InChIKey
GKPFIFAYQGLJMN-UHFFFAOYSA-N
Compound name
2-[1,1,2,2-tetrafluoro-2-(4-phenylphenyl)ethyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.09332 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.10060 183.9
[M+Na]+ 394.08254 194.2
[M-H]- 370.08604 189.3
[M+NH4]+ 389.12714 195.6
[M+K]+ 410.05648 187.8
[M+H-H2O]+ 354.09058 171.6
[M+HCOO]- 416.09152 199.3
[M+CH3COO]- 430.10717 194.0
[M+Na-2H]- 392.06799 189.7
[M]+ 371.09277 181.7
[M]- 371.09387 181.7
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.