CID 64157006

5-(3-fluorophenyl)pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂FNO

SMILES

C1C(CNC1C2=CC(=CC=C2)F)O

InChI

InChI=1S/C10H12FNO/c11-8-3-1-2-7(4-8)10-5-9(13)6-12-10/h1-4,9-10,12-13H,5-6H2

InChIKey

QOQHYYPIRCCHOK-UHFFFAOYSA-N

Compound name

5-(3-fluorophenyl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 181.09029 Da
Monoisotopic Mass: 0.9
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]+	182.09757	140.0
[M+Na]+	204.07951	150.7
[M+NH4]+	199.12411	147.9
[M+K]+	220.05345	146.4
[M-H]-	180.08301	140.9
[M+Na-2H]-	202.06496	145.5
[M]+	181.08974	141.5
[M]-	181.09084	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe