CID 43514839

3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine hydrochloride

Structural Information

Molecular Formula
C13H14FN3O
SMILES
C1CC(CNC1)C2=NC(=NO2)C3=CC(=CC=C3)F
InChI
InChI=1S/C13H14FN3O/c14-11-5-1-3-9(7-11)12-16-13(18-17-12)10-4-2-6-15-8-10/h1,3,5,7,10,15H,2,4,6,8H2
InChIKey
SFLFRHKNFAGSIC-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

247.11209 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11937 154.6
[M+Na]+ 270.10131 161.5
[M-H]- 246.10481 157.9
[M+NH4]+ 265.14591 166.9
[M+K]+ 286.07525 157.4
[M+H-H2O]+ 230.10935 143.8
[M+HCOO]- 292.11029 169.8
[M+CH3COO]- 306.12594 164.9
[M+Na-2H]- 268.08676 157.6
[M]+ 247.11154 148.7
[M]- 247.11264 148.7
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

patents stripe