CID 382359

Nsc669829

Structural Information

Molecular Formula
C15H12F3N3O
SMILES
CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C15H12F3N3O/c1-21-14(11-3-2-4-12(9-11)15(16,17)18)22-13(20-21)10-5-7-19-8-6-10/h2-9,14H,1H3
InChIKey
ZHNGVQVGFZPSCO-UHFFFAOYSA-N
Compound name
3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-2H-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.09326 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10054 167.7
[M+Na]+ 330.08248 177.7
[M-H]- 306.08598 170.8
[M+NH4]+ 325.12708 178.8
[M+K]+ 346.05642 173.0
[M+H-H2O]+ 290.09052 155.3
[M+HCOO]- 352.09146 182.7
[M+CH3COO]- 366.10711 178.2
[M+Na-2H]- 328.06793 170.9
[M]+ 307.09271 164.7
[M]- 307.09381 164.7
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.