CID 131256316

3-phenyl-3-(trifluoromethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂F₃N

SMILES

C1CNCC1(C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C11H12F3N/c12-11(13,14)10(6-7-15-8-10)9-4-2-1-3-5-9/h1-5,15H,6-8H2

InChIKey

FWTHGVFLVUXJIT-UHFFFAOYSA-N

Compound name

3-phenyl-3-(trifluoromethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 215.09218 Da
Monoisotopic Mass: 2.8
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]+	216.099456	144.4
[M+Na]+	238.081398	151.5
[M-H]-	214.084904	144.2
[M+NH4]+	233.126003	164.3
[M+K]+	254.055338	147.2
[M+H-H2O]+	198.089440	135.6
[M+HCOO]-	260.090381	160.2
[M+CH3COO]-	274.106031	181.2
[M+Na-2H]-	236.066846	149.0
[M]+	215.09163142	135.3
[M]-	215.09272858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe