CID 3813474

1189434-97-6

Structural Information

Molecular Formula

C₁₁H₁₂F₃N

SMILES

C1CC(NC1)C2=CC=CC=C2C(F)(F)F

InChI

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

InChIKey

DRQIUNNVQDIWJF-UHFFFAOYSA-N

Compound name

2-[2-(trifluoromethyl)phenyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 215.09218 Da
Monoisotopic Mass: 2.7
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]+	216.09946	144.1
[M+Na]+	238.08140	151.1
[M-H]-	214.08490	143.9
[M+NH4]+	233.12600	162.3
[M+K]+	254.05534	146.6
[M+H-H2O]+	198.08944	135.0
[M+HCOO]-	260.09038	159.8
[M+CH3COO]-	274.10603	182.7
[M+Na-2H]-	236.06685	147.0
[M]+	215.09163	135.1
[M]-	215.09273	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe