CID 38114

3549-17-5

Structural Information

Molecular Formula

C₁₇H₁₈F₃NO

SMILES

COC(CNCC1=CC=CC=C1)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H18F3NO/c1-22-16(12-21-11-13-6-3-2-4-7-13)14-8-5-9-15(10-14)17(18,19)20/h2-10,16,21H,11-12H2,1H3

InChIKey

AVOUWNCXBIGLOP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 309.13406 Da
Monoisotopic Mass: 3.6
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]+	310.141336	170.3
[M+Na]+	332.123278	176.0
[M-H]-	308.126784	172.4
[M+NH4]+	327.167883	184.4
[M+K]+	348.097218	171.4
[M+H-H2O]+	292.131320	159.6
[M+HCOO]-	354.132261	189.0
[M+CH3COO]-	368.147911	207.7
[M+Na-2H]-	330.108726	173.9
[M]+	309.13351142	166.9
[M]-	309.13460858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe