CID 112563603

2460750-03-0

Structural Information

Molecular Formula

C₁₀H₁₂FN

SMILES

CC1=CC=C(C=C1)C2(CNC2)F

InChI

InChI=1S/C10H12FN/c1-8-2-4-9(5-3-8)10(11)6-12-7-10/h2-5,12H,6-7H2,1H3

InChIKey

MHLYGIJIXOIVED-UHFFFAOYSA-N

Compound name

3-fluoro-3-(4-methylphenyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.09538 Da
Monoisotopic Mass: 1.6
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	133.5
[M+Na]+	188.08460	140.8
[M-H]-	164.08810	136.5
[M+NH4]+	183.12920	147.9
[M+K]+	204.05854	140.3
[M+H-H2O]+	148.09264	122.1
[M+HCOO]-	210.09358	152.4
[M+CH3COO]-	224.10923	179.4
[M+Na-2H]-	186.07005	140.2
[M]+	165.09483	137.9
[M]-	165.09593	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe