CID 26192122

Pyrrolidine, 3-(4-fluorophenoxy)-, hydrochloride (1:1), (3r)-

Structural Information

Molecular Formula

C₁₀H₁₂FNO

SMILES

C1CNC[C@@H]1OC2=CC=C(C=C2)F

InChI

InChI=1S/C10H12FNO/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2/t10-/m1/s1

InChIKey

YKPHNAHLNXEANR-SNVBAGLBSA-N

Compound name

(3R)-3-(4-fluorophenoxy)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 181.09029 Da
Monoisotopic Mass: 1.8
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]+	182.097566	136.9
[M+Na]+	204.079508	143.6
[M-H]-	180.083014	139.3
[M+NH4]+	199.124113	156.3
[M+K]+	220.053448	140.4
[M+H-H2O]+	164.087550	129.1
[M+HCOO]-	226.088491	156.9
[M+CH3COO]-	240.104141	176.4
[M+Na-2H]-	202.064956	140.8
[M]+	181.08974142	131.8
[M]-	181.09083858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe