CID 62387665

3-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂F₃NO₂

SMILES

C1=CC(=CC=C1C(CCO)N)OC(F)(F)F

InChI

InChI=1S/C10H12F3NO2/c11-10(12,13)16-8-3-1-7(2-4-8)9(14)5-6-15/h1-4,9,15H,5-6,14H2

InChIKey

AATVZGIQHXMRID-UHFFFAOYSA-N

Compound name

3-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.08202 Da
Monoisotopic Mass: 1.7
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]+	236.089296	148.0
[M+Na]+	258.071238	154.9
[M-H]-	234.074744	145.8
[M+NH4]+	253.115843	164.5
[M+K]+	274.045178	152.1
[M+H-H2O]+	218.079280	139.6
[M+HCOO]-	280.080221	165.8
[M+CH3COO]-	294.095871	190.0
[M+Na-2H]-	256.056686	151.3
[M]+	235.08147142	143.0
[M]-	235.08256858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.