CID 16780104

3-[(3-fluorophenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂FN

SMILES

C1C(CN1)CC2=CC(=CC=C2)F

InChI

InChI=1S/C10H12FN/c11-10-3-1-2-8(5-10)4-9-6-12-7-9/h1-3,5,9,12H,4,6-7H2

InChIKey

DOPZMVIXSPCXJO-UHFFFAOYSA-N

Compound name

3-[(3-fluorophenyl)methyl]azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 165.09538 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]+	166.102656	131.5
[M+Na]+	188.084598	137.8
[M-H]-	164.088104	133.9
[M+NH4]+	183.129203	143.8
[M+K]+	204.058538	137.2
[M+H-H2O]+	148.092640	119.0
[M+HCOO]-	210.093581	150.3
[M+CH3COO]-	224.109231	179.8
[M+Na-2H]-	186.070046	137.3
[M]+	165.09483142	135.6
[M]-	165.09592858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe