CID 105439364

3-(4-fluorophenyl)-3-methoxyazetidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂FNO

SMILES

COC1(CNC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C10H12FNO/c1-13-10(6-12-7-10)8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3

InChIKey

WHULGZPXTQSTJD-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)-3-methoxyazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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]+	182.097566	136.4
[M+Na]+	204.079508	143.5
[M-H]-	180.083014	139.3
[M+NH4]+	199.124113	150.0
[M+K]+	220.053448	143.5
[M+H-H2O]+	164.087550	124.8
[M+HCOO]-	226.088491	155.5
[M+CH3COO]-	240.104141	181.3
[M+Na-2H]-	202.064956	143.1
[M]+	181.08974142	142.2
[M]-	181.09083858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe