CID 79460062

2411263-25-5

Structural Information

Molecular Formula

C₁₀H₁₂FN

SMILES

CC1(CNC1)C2=CC=C(C=C2)F

InChI

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

InChIKey

ZWTIWUSOTHPXET-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)-3-methylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 165.09538 Da
Monoisotopic Mass: 2.0
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	135.0
[M+Na]+	188.08460	143.2
[M+NH4]+	183.12920	141.1
[M+K]+	204.05854	136.4
[M-H]-	164.08810	134.3
[M+Na-2H]-	186.07005	141.5
[M]+	165.09483	134.9
[M]-	165.09593	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe