CID 203252

D 381a

Structural Information

Molecular Formula

C₁₁H₁₄F₃NO

SMILES

CC(C)(C(C1=CC=C(C=C1)C(F)(F)F)O)N

InChI

InChI=1S/C11H14F3NO/c1-10(2,15)9(16)7-3-5-8(6-4-7)11(12,13)14/h3-6,9,16H,15H2,1-2H3

InChIKey

IEXIAWMURVKAII-UHFFFAOYSA-N

Compound name

2-amino-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.10275 Da
Monoisotopic Mass: 1.6
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]+	234.11003	148.9
[M+Na]+	256.09197	155.9
[M-H]-	232.09547	147.0
[M+NH4]+	251.13657	165.7
[M+K]+	272.06591	152.9
[M+H-H2O]+	216.10001	141.3
[M+HCOO]-	278.10095	164.5
[M+CH3COO]-	292.11660	191.4
[M+Na-2H]-	254.07742	152.5
[M]+	233.10220	142.3
[M]-	233.10330	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe