CID 22309138

3-(3-chlorophenoxy)azetidine hydrochloride

Structural Information

Molecular Formula

C₉H₁₀ClNO

SMILES

C1C(CN1)OC2=CC(=CC=C2)Cl

InChI

InChI=1S/C9H10ClNO/c10-7-2-1-3-8(4-7)12-9-5-11-6-9/h1-4,9,11H,5-6H2

InChIKey

NVLTWTXWRIFYFW-UHFFFAOYSA-N

Compound name

3-(3-chlorophenoxy)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 183.04509 Da
Monoisotopic Mass: 2.4
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]+	184.05237	130.0
[M+Na]+	206.03431	139.7
[M+NH4]+	201.07891	135.5
[M+K]+	222.00825	134.6
[M-H]-	182.03781	130.5
[M+Na-2H]-	204.01976	136.2
[M]+	183.04454	130.7
[M]-	183.04564	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe