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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09932 162.5
[M+Na]+ 296.08126 177.1
[M+NH4]+ 291.12586 173.2
[M+K]+ 312.05520 168.3
[M-H]- 272.08476 167.8
[M+Na-2H]- 294.06671 173.1
[M]+ 273.09149 166.6
[M]- 273.09259 166.6
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

No patent data available for this compound.