CID 200615

5-phenyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-pyrrolidinol hydrochloride

Structural Information

Molecular Formula
C17H16F3NO
SMILES
C1C(NCC1(C2=CC(=CC=C2)C(F)(F)F)O)C3=CC=CC=C3
InChI
InChI=1S/C17H16F3NO/c18-17(19,20)14-8-4-7-13(9-14)16(22)10-15(21-11-16)12-5-2-1-3-6-12/h1-9,15,21-22H,10-11H2
InChIKey
VLRUZSOTWMSMIN-UHFFFAOYSA-N
Compound name
5-phenyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1184 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12568 168.8
[M+Na]+ 330.10762 176.1
[M-H]- 306.11112 170.8
[M+NH4]+ 325.15222 184.4
[M+K]+ 346.08156 169.3
[M+H-H2O]+ 290.11566 158.8
[M+HCOO]- 352.11660 182.7
[M+CH3COO]- 366.13225 178.3
[M+Na-2H]- 328.09307 170.8
[M]+ 307.11785 159.9
[M]- 307.11895 159.9
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.