CID 2778960

808764-45-6

Structural Information

Molecular Formula
C14H14F3N3O
SMILES
C1CNCCC1C2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C14H14F3N3O/c15-14(16,17)11-3-1-2-10(8-11)12-19-13(21-20-12)9-4-6-18-7-5-9/h1-3,8-9,18H,4-7H2
InChIKey
FUFZNHHSSMCXCZ-UHFFFAOYSA-N
Compound name
5-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3117
Patents

297.1089 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11618 165.4
[M+Na]+ 320.09812 172.4
[M-H]- 296.10162 166.2
[M+NH4]+ 315.14272 175.7
[M+K]+ 336.07206 167.6
[M+H-H2O]+ 280.10616 153.2
[M+HCOO]- 342.10710 176.5
[M+CH3COO]- 356.12275 174.3
[M+Na-2H]- 318.08357 167.5
[M]+ 297.10835 157.1
[M]- 297.10945 157.1
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

patents stripe