CID 89107

21928-50-7

Structural Information

Molecular Formula

C₁₂H₁₃ClF₃NO

SMILES

C1CNCCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O

InChI

InChI=1S/C12H13ClF3NO/c13-10-2-1-8(7-9(10)12(14,15)16)11(18)3-5-17-6-4-11/h1-2,7,17-18H,3-6H2

InChIKey

RALRVIPTUXSBPO-UHFFFAOYSA-N

Compound name

4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1356
Patents: 279.06378 Da
Monoisotopic Mass: 2.5
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]+	280.07106	159.8
[M+Na]+	302.05300	169.0
[M+NH4]+	297.09760	166.7
[M+K]+	318.02694	161.7
[M-H]-	278.05650	157.5
[M+Na-2H]-	300.03845	165.3
[M]+	279.06323	160.6
[M]-	279.06433	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe