CID 47002646

3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol hydrochloride

Structural Information

Molecular Formula

C₉H₉ClF₃NO

SMILES

C1=CC(=CC=C1C(CN)(C(F)(F)F)O)Cl

InChI

InChI=1S/C9H9ClF3NO/c10-7-3-1-6(2-4-7)8(15,5-14)9(11,12)13/h1-4,15H,5,14H2

InChIKey

STTNIAOMTGSCFK-UHFFFAOYSA-N

Compound name

3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 239.03247 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]+	240.039746	145.3
[M+Na]+	262.021688	154.2
[M-H]-	238.025194	143.5
[M+NH4]+	257.066293	162.8
[M+K]+	277.995628	149.0
[M+H-H2O]+	222.029730	138.7
[M+HCOO]-	284.030671	158.1
[M+CH3COO]-	298.046321	188.3
[M+Na-2H]-	260.007136	150.8
[M]+	239.03192142	140.8
[M]-	239.03301858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe