CID 518751

133184-80-2

Structural Information

Molecular Formula

C₁₁H₁₃F₃N₂

SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C11H13F3N2/c12-11(13,14)8-3-4-10(9(15)7-8)16-5-1-2-6-16/h3-4,7H,1-2,5-6,15H2

InChIKey

HPDFKXPVMXSXGE-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-yl-5-(trifluoromethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 151
Patents: 230.10309 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]+	231.110366	147.6
[M+Na]+	253.092308	155.1
[M-H]-	229.095814	148.6
[M+NH4]+	248.136913	165.6
[M+K]+	269.066248	151.1
[M+H-H2O]+	213.100350	138.1
[M+HCOO]-	275.101291	165.2
[M+CH3COO]-	289.116941	190.6
[M+Na-2H]-	251.077756	149.7
[M]+	230.10254142	139.2
[M]-	230.10363858	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe