CID 83825281

4-fluoro-4-[3-(trifluoromethyl)phenyl]piperidine hydrochloride

Structural Information

Molecular Formula
C12H13F4N
SMILES
C1CNCCC1(C2=CC(=CC=C2)C(F)(F)F)F
InChI
InChI=1S/C12H13F4N/c13-11(4-6-17-7-5-11)9-2-1-3-10(8-9)12(14,15)16/h1-3,8,17H,4-7H2
InChIKey
PZHMERSMUQZSHZ-UHFFFAOYSA-N
Compound name
4-fluoro-4-[3-(trifluoromethyl)phenyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09842 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10570 152.9
[M+Na]+ 270.08764 159.6
[M-H]- 246.09114 151.1
[M+NH4]+ 265.13224 169.7
[M+K]+ 286.06158 154.6
[M+H-H2O]+ 230.09568 142.6
[M+HCOO]- 292.09662 164.9
[M+CH3COO]- 306.11227 188.5
[M+Na-2H]- 268.07309 157.0
[M]+ 247.09787 141.1
[M]- 247.09897 141.1
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

No patent data available for this compound.