CID 22605411

3-(4-(trifluoromethyl)phenyl)azetidine

Structural Information

Molecular Formula

C₁₀H₁₀F₃N

SMILES

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

InChI

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

InChIKey

MCYMKGBNIMSIQE-UHFFFAOYSA-N

Compound name

3-[4-(trifluoromethyl)phenyl]azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 201.07654 Da
Monoisotopic Mass: 2.2
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]+	202.08382	149.9
[M+Na]+	224.06576	155.4
[M+NH4]+	219.11036	152.4
[M+K]+	240.03970	151.2
[M-H]-	200.06926	145.6
[M+Na-2H]-	222.05121	152.4
[M]+	201.07599	148.2
[M]-	201.07709	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe