CID 16780166

3-[(4-fluorophenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂FN

SMILES

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

InChI

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

InChIKey

XNDJLHUZUSQKTB-UHFFFAOYSA-N

Compound name

3-[(4-fluorophenyl)methyl]azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
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]+	166.10266	134.7
[M+Na]+	188.08460	142.7
[M+NH4]+	183.12920	139.4
[M+K]+	204.05854	137.5
[M-H]-	164.08810	134.0
[M+Na-2H]-	186.07005	139.7
[M]+	165.09483	134.3
[M]-	165.09593	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe