CID 694756

1496-40-8

Structural Information

Molecular Formula

C₁₂H₁₅F₃N₂

SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C12H15F3N2/c13-12(14,15)9-4-5-11(10(16)8-9)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2

InChIKey

BERRRZOJDANPHE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 181
Patents: 244.11873 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]+	245.126006	153.5
[M+Na]+	267.107948	159.6
[M-H]-	243.111454	153.8
[M+NH4]+	262.152553	168.8
[M+K]+	283.081888	155.2
[M+H-H2O]+	227.115990	143.3
[M+HCOO]-	289.116931	168.4
[M+CH3COO]-	303.132581	194.0
[M+Na-2H]-	265.093396	156.3
[M]+	244.11818142	143.1
[M]-	244.11927858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe