CID 3051560

67466-47-1

Structural Information

Molecular Formula

C₁₆H₁₆ClNO

SMILES

C1C(NCC1(C2=CC=CC=C2)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H16ClNO/c17-14-8-6-12(7-9-14)15-10-16(19,11-18-15)13-4-2-1-3-5-13/h1-9,15,18-19H,10-11H2

InChIKey

MUPRAECAEXZYHK-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)-3-phenylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.09204 Da
Monoisotopic Mass: 2.8
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]+	274.099316	162.4
[M+Na]+	296.081258	170.2
[M-H]-	272.084764	168.1
[M+NH4]+	291.125863	180.2
[M+K]+	312.055198	162.8
[M+H-H2O]+	256.089300	155.1
[M+HCOO]-	318.090241	176.8
[M+CH3COO]-	332.105891	173.4
[M+Na-2H]-	294.066706	165.2
[M]+	273.09149142	159.0
[M]-	273.09258858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe