CID 86055599

Gs1714

Structural Information

Molecular Formula

C₁₁H₁₃F₃N₂O

SMILES

C1CN(CCN1)C2=CC(=C(C=C2)O)C(F)(F)F

InChI

InChI=1S/C11H13F3N2O/c12-11(13,14)9-7-8(1-2-10(9)17)16-5-3-15-4-6-16/h1-2,7,15,17H,3-6H2

InChIKey

IJBCBVIOADJKJZ-UHFFFAOYSA-N

Compound name

4-piperazin-1-yl-2-(trifluoromethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 246.09799 Da
Monoisotopic Mass: 1.9
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]+	247.10527	153.8
[M+Na]+	269.08721	160.3
[M-H]-	245.09071	150.6
[M+NH4]+	264.13181	166.8
[M+K]+	285.06115	155.1
[M+H-H2O]+	229.09525	143.5
[M+HCOO]-	291.09619	164.5
[M+CH3COO]-	305.11184	186.5
[M+Na-2H]-	267.07266	156.9
[M]+	246.09744	143.0
[M]-	246.09854	143.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.