CID 156845906

Refchem:424784

Structural Information

Molecular Formula

C₁₂H₁₅F₃N₂O

SMILES

C1CN(CCC1(C(F)(F)F)O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H15F3N2O/c13-12(14,15)11(18)5-7-17(8-6-11)10-3-1-9(16)2-4-10/h1-4,18H,5-8,16H2

InChIKey

HJXAVCXNNOPRNX-UHFFFAOYSA-N

Compound name

1-(4-aminophenyl)-4-(trifluoromethyl)piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 260.11365 Da
Monoisotopic Mass: 2.2
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]+	261.120926	156.9
[M+Na]+	283.102868	163.6
[M-H]-	259.106374	156.2
[M+NH4]+	278.147473	172.9
[M+K]+	299.076808	159.3
[M+H-H2O]+	243.110910	147.6
[M+HCOO]-	305.111851	170.6
[M+CH3COO]-	319.127501	193.2
[M+Na-2H]-	281.088316	160.5
[M]+	260.11310142	146.5
[M]-	260.11419858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe