CID 67059969

4-(4-chloro-2-fluorophenyl)piperidin-4-ol hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃ClFNO

SMILES

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

InChI

InChI=1S/C11H13ClFNO/c12-8-1-2-9(10(13)7-8)11(15)3-5-14-6-4-11/h1-2,7,14-15H,3-6H2

InChIKey

HCSVWMUCAVUIPA-UHFFFAOYSA-N

Compound name

4-(4-chloro-2-fluorophenyl)piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 229.06697 Da
Monoisotopic Mass: 1.7
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]+	230.074246	147.4
[M+Na]+	252.056188	155.1
[M-H]-	228.059694	148.4
[M+NH4]+	247.100793	165.5
[M+K]+	268.030128	149.1
[M+H-H2O]+	212.064230	140.8
[M+HCOO]-	274.065171	158.9
[M+CH3COO]-	288.080821	158.3
[M+Na-2H]-	250.041636	151.8
[M]+	229.06642142	141.5
[M]-	229.06751858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe