CID 4613179

Pyrrolidine-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide

Structural Information

Molecular Formula

C₁₂H₁₃F₃N₂O

SMILES

C1CCN(C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O/c13-12(14,15)9-4-3-5-10(8-9)16-11(18)17-6-1-2-7-17/h3-5,8H,1-2,6-7H2,(H,16,18)

InChIKey

SJVQNVIOFDZPLA-UHFFFAOYSA-N

Compound name

N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 258.098 Da
Monoisotopic Mass: 3.1
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]+	259.105276	154.5
[M+Na]+	281.087218	160.6
[M-H]-	257.090724	155.6
[M+NH4]+	276.131823	171.2
[M+K]+	297.061158	157.2
[M+H-H2O]+	241.095260	144.6
[M+HCOO]-	303.096201	171.8
[M+CH3COO]-	317.111851	193.8
[M+Na-2H]-	279.072666	156.7
[M]+	258.09745142	146.9
[M]-	258.09854858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe