CID 198226

Sk&f 41407

Structural Information

Molecular Formula

C₁₁H₁₄F₃NO

SMILES

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

InChI

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

InChIKey

XVTCCRDDVUAFBZ-UHFFFAOYSA-N

Compound name

1-methoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.10275 Da
Monoisotopic Mass: 2.0
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	149.4
[M+Na]+	256.09197	156.2
[M-H]-	232.09547	148.6
[M+NH4]+	251.13657	166.8
[M+K]+	272.06591	154.0
[M+H-H2O]+	216.10001	141.0
[M+HCOO]-	278.10095	167.1
[M+CH3COO]-	292.11660	194.4
[M+Na-2H]-	254.07742	151.4
[M]+	233.10220	144.6
[M]-	233.10330	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe