CID 17768190

681481-99-2

Structural Information

Molecular Formula

C₁₃H₁₆F₃NO

SMILES

C1CN(CCC1CO)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H16F3NO/c14-13(15,16)11-1-3-12(4-2-11)17-7-5-10(9-18)6-8-17/h1-4,10,18H,5-9H2

InChIKey

QUGCRHCFCXZCRY-UHFFFAOYSA-N

Compound name

[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 259.1184 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.12568	157.5
[M+Na]+	282.10762	163.5
[M-H]-	258.11112	156.8
[M+NH4]+	277.15222	172.1
[M+K]+	298.08156	159.0
[M+H-H2O]+	242.11566	147.5
[M+HCOO]-	304.11660	170.4
[M+CH3COO]-	318.13225	192.3
[M+Na-2H]-	280.09307	159.9
[M]+	259.11785	148.7
[M]-	259.11895	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe