CID 62784664

3-(3,5-difluorophenoxy)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁F₂NO

SMILES

C1CNCC1OC2=CC(=CC(=C2)F)F

InChI

InChI=1S/C10H11F2NO/c11-7-3-8(12)5-10(4-7)14-9-1-2-13-6-9/h3-5,9,13H,1-2,6H2

InChIKey

WODHJUHQHBRQHF-UHFFFAOYSA-N

Compound name

3-(3,5-difluorophenoxy)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 199.08087 Da
Monoisotopic Mass: 1.9
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]+	200.08815	144.8
[M+Na]+	222.07009	154.8
[M+NH4]+	217.11469	151.9
[M+K]+	238.04403	150.2
[M-H]-	198.07359	144.6
[M+Na-2H]-	220.05554	149.8
[M]+	199.08032	145.8
[M]-	199.08142	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe