CID 42427124

2137036-69-0

Structural Information

Molecular Formula

C₁₁H₁₄FNO

SMILES

C1C[C@H](NC1)COC2=CC=C(C=C2)F

InChI

InChI=1S/C11H14FNO/c12-9-3-5-11(6-4-9)14-8-10-2-1-7-13-10/h3-6,10,13H,1-2,7-8H2/t10-/m0/s1

InChIKey

WYPNSDPKFUHTKS-JTQLQIEISA-N

Compound name

(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 195.10594 Da
Monoisotopic Mass: 2.1
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]+	196.113216	141.5
[M+Na]+	218.095158	147.8
[M-H]-	194.098664	143.7
[M+NH4]+	213.139763	160.3
[M+K]+	234.069098	144.3
[M+H-H2O]+	178.103200	133.5
[M+HCOO]-	240.104141	161.2
[M+CH3COO]-	254.119791	179.4
[M+Na-2H]-	216.080606	144.8
[M]+	195.10539142	136.8
[M]-	195.10648858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe