CID 11413558

4-(2-(trifluoromethyl)phenyl)piperidine hydrochloride

Structural Information

Molecular Formula
C12H14F3N
SMILES
C1CNCCC1C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C12H14F3N/c13-12(14,15)11-4-2-1-3-10(11)9-5-7-16-8-6-9/h1-4,9,16H,5-8H2
InChIKey
KFWQOXAWVPAOKE-UHFFFAOYSA-N
Compound name
4-[2-(trifluoromethyl)phenyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

247
Patents

229.10783 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11511 149.5
[M+Na]+ 252.09705 155.1
[M-H]- 228.10055 148.6
[M+NH4]+ 247.14165 165.0
[M+K]+ 268.07099 150.2
[M+H-H2O]+ 212.10509 139.6
[M+HCOO]- 274.10603 162.5
[M+CH3COO]- 288.12168 186.1
[M+Na-2H]- 250.08250 153.2
[M]+ 229.10728 138.5
[M]- 229.10838 138.5
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