CID 9799354

140890-70-6

Structural Information

Molecular Formula

C₂₃H₂₃F₂NO

SMILES

C1=CC=C(C=C1)CCNCCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H23F2NO/c24-21-10-6-19(7-11-21)23(20-8-12-22(25)13-9-20)27-17-16-26-15-14-18-4-2-1-3-5-18/h1-13,23,26H,14-17H2

InChIKey

TVGRUCPXRHSHGG-UHFFFAOYSA-N

Compound name

N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 367.17477 Da
Monoisotopic Mass: 5.0
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]+	368.182046	188.7
[M+Na]+	390.163988	193.3
[M-H]-	366.167494	194.6
[M+NH4]+	385.208593	199.8
[M+K]+	406.137928	186.6
[M+H-H2O]+	350.172030	176.5
[M+HCOO]-	412.172971	209.2
[M+CH3COO]-	426.188621	220.0
[M+Na-2H]-	388.149436	190.7
[M]+	367.17422142	186.8
[M]-	367.17531858	186.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe