CID 3051558

67466-46-0

Structural Information

Molecular Formula
C16H16ClNO
SMILES
C1C(NCC1(C2=CC=C(C=C2)Cl)O)C3=CC=CC=C3
InChI
InChI=1S/C16H16ClNO/c17-14-8-6-13(7-9-14)16(19)10-15(18-11-16)12-4-2-1-3-5-12/h1-9,15,18-19H,10-11H2
InChIKey
YTFWSWYRNPLHGY-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-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 162.4
[M+Na]+ 296.08126 170.2
[M-H]- 272.08476 168.1
[M+NH4]+ 291.12586 180.2
[M+K]+ 312.05520 162.8
[M+H-H2O]+ 256.08930 155.1
[M+HCOO]- 318.09024 176.8
[M+CH3COO]- 332.10589 173.4
[M+Na-2H]- 294.06671 165.2
[M]+ 273.09149 159.0
[M]- 273.09259 159.0
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

patents stripe