CID 146081943

2-phenyl-2-(trifluoromethyl)azetidine

Structural Information

Molecular Formula

C₁₀H₁₀F₃N

SMILES

C1CNC1(C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C10H10F3N/c11-10(12,13)9(6-7-14-9)8-4-2-1-3-5-8/h1-5,14H,6-7H2

InChIKey

PKAMTDBYUYVDHJ-UHFFFAOYSA-N

Compound name

2-phenyl-2-(trifluoromethyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.07654 Da
Monoisotopic Mass: 2.4
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]+	202.083816	141.5
[M+Na]+	224.065758	148.4
[M-H]-	200.069264	141.7
[M+NH4]+	219.110363	154.0
[M+K]+	240.039698	147.4
[M+H-H2O]+	184.073800	128.5
[M+HCOO]-	246.074741	156.6
[M+CH3COO]-	260.090391	183.4
[M+Na-2H]-	222.051206	148.0
[M]+	201.07599142	142.6
[M]-	201.07708858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.