CID 22641895

2228674-28-8

Structural Information

Molecular Formula

C₁₆H₁₆FNO

SMILES

C1CNCC2=C1C=C(C=C2)OCC3=CC(=CC=C3)F

InChI

InChI=1S/C16H16FNO/c17-15-3-1-2-12(8-15)11-19-16-5-4-14-10-18-7-6-13(14)9-16/h1-5,8-9,18H,6-7,10-11H2

InChIKey

WVANQPZQCOXLDS-UHFFFAOYSA-N

Compound name

6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 257.12158 Da
Monoisotopic Mass: 2.9
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]+	258.128856	157.6
[M+Na]+	280.110798	164.2
[M-H]-	256.114304	160.4
[M+NH4]+	275.155403	173.1
[M+K]+	296.084738	158.3
[M+H-H2O]+	240.118840	148.2
[M+HCOO]-	302.119781	174.5
[M+CH3COO]-	316.135431	168.1
[M+Na-2H]-	278.096246	163.2
[M]+	257.12103142	152.9
[M]-	257.12212858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe