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: 1
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]+	234.110026	148.9
[M+Na]+	256.091968	155.9
[M-H]-	232.095474	147.0
[M+NH4]+	251.136573	165.7
[M+K]+	272.065908	152.9
[M+H-H2O]+	216.100010	141.3
[M+HCOO]-	278.100951	164.5
[M+CH3COO]-	292.116601	191.4
[M+Na-2H]-	254.077416	152.5
[M]+	233.10220142	142.3
[M]-	233.10329858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe