CID 5278382

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

Structural Information

Molecular Formula
C15H9F4NO
SMILES
C1=CC=C2C(=C1)N=C(O2)C(C(C3=CC=C(C=C3)F)F)(F)F
InChI
InChI=1S/C15H9F4NO/c16-10-7-5-9(6-8-10)13(17)15(18,19)14-20-11-3-1-2-4-12(11)21-14/h1-8,13H
InChIKey
YBFYQGDNMYMPHI-UHFFFAOYSA-N
Compound name
2-[1,1,2-trifluoro-2-(4-fluorophenyl)ethyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.062 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06928 160.6
[M+Na]+ 318.05122 171.5
[M-H]- 294.05472 163.2
[M+NH4]+ 313.09582 176.0
[M+K]+ 334.02516 167.0
[M+H-H2O]+ 278.05926 149.9
[M+HCOO]- 340.06020 177.7
[M+CH3COO]- 354.07585 172.4
[M+Na-2H]- 316.03667 165.7
[M]+ 295.06145 158.9
[M]- 295.06255 158.9
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.