CID 5278384

3-phenyl-5-[1,1,2-trifluoro-2-(3-pyridyl)ethyl]-1,2,4-oxadiazole

Structural Information

Molecular Formula
C15H10F3N3O
SMILES
C1=CC=C(C=C1)C2=NOC(=N2)C(C(C3=CN=CC=C3)F)(F)F
InChI
InChI=1S/C15H10F3N3O/c16-12(11-7-4-8-19-9-11)15(17,18)14-20-13(21-22-14)10-5-2-1-3-6-10/h1-9,12H
InChIKey
ZHOUAEDBIHTCGQ-UHFFFAOYSA-N
Compound name
3-phenyl-5-(1,1,2-trifluoro-2-pyridin-3-ylethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0776 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08488 164.5
[M+Na]+ 328.06682 173.2
[M-H]- 304.07032 167.3
[M+NH4]+ 323.11142 174.9
[M+K]+ 344.04076 168.9
[M+H-H2O]+ 288.07486 151.8
[M+HCOO]- 350.07580 179.9
[M+CH3COO]- 364.09145 174.8
[M+Na-2H]- 326.05227 169.2
[M]+ 305.07705 161.6
[M]- 305.07815 161.6
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.