CID 71316084

1203682-20-5

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C9H9F2N/c10-8-1-6(2-9(11)3-8)7-4-12-5-7/h1-3,7,12H,4-5H2

InChIKey

FNIOEHWSYCXSMF-UHFFFAOYSA-N

Compound name

3-(3,5-difluorophenyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.07031 Da
Monoisotopic Mass: 1.5
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]+	170.07759	137.4
[M+Na]+	192.05953	144.8
[M+NH4]+	187.10413	141.3
[M+K]+	208.03347	140.0
[M-H]-	168.06303	135.2
[M+Na-2H]-	190.04498	141.3
[M]+	169.06976	136.5
[M]-	169.07086	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.