CID 22729438

4-(3,4,5-trifluorophenyl)piperidine

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CNCCC1C2=CC(=C(C(=C2)F)F)F
InChI
InChI=1S/C11H12F3N/c12-9-5-8(6-10(13)11(9)14)7-1-3-15-4-2-7/h5-7,15H,1-4H2
InChIKey
HFKWRARNTZQLPC-UHFFFAOYSA-N
Compound name
4-(3,4,5-trifluorophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

215.09218 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.099456 144.4
[M+Na]+ 238.081398 151.8
[M-H]- 214.084904 144.2
[M+NH4]+ 233.126003 161.0
[M+K]+ 254.055338 146.8
[M+H-H2O]+ 198.089440 134.6
[M+HCOO]- 260.090381 159.4
[M+CH3COO]- 274.106031 185.6
[M+Na-2H]- 236.066846 146.6
[M]+ 215.09163142 134.5
[M]- 215.09272858 134.5
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