CID 27139

Fludorex

Structural Information

Molecular Formula

C₁₁H₁₄F₃NO

SMILES

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

InChI

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

InChIKey

CXLOIJUDIPVKOU-UHFFFAOYSA-N

Compound name

2-methoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 2248
Patents: 233.10275 Da
Monoisotopic Mass: 2.1
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	148.6
[M+NH4]+	251.136573	166.7
[M+K]+	272.065908	153.6
[M+H-H2O]+	216.100010	140.3
[M+HCOO]-	278.100951	168.3
[M+CH3COO]-	292.116601	194.1
[M+Na-2H]-	254.077416	153.2
[M]+	233.10220142	145.8
[M]-	233.10329858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe