CID 18337164

1095545-09-7

Structural Information

Molecular Formula

C₁₁H₁₂F₃N

SMILES

C1CNCC1C2=CC=CC=C2C(F)(F)F

InChI

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

InChIKey

BHQVEKYUXFSYAH-UHFFFAOYSA-N

Compound name

3-[2-(trifluoromethyl)phenyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 215.09218 Da
Monoisotopic Mass: 2.6
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	144.1
[M+Na]+	238.081398	151.1
[M-H]-	214.084904	143.9
[M+NH4]+	233.126003	162.3
[M+K]+	254.055338	146.6
[M+H-H2O]+	198.089440	135.0
[M+HCOO]-	260.090381	159.8
[M+CH3COO]-	274.106031	182.7
[M+Na-2H]-	236.066846	147.0
[M]+	215.09163142	135.1
[M]-	215.09272858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe