CID 3052533

68968-05-8

Structural Information

Molecular Formula

C₁₅H₁₆ClNO

SMILES

COC1=CC=C(C=C1)C(CC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C15H16ClNO/c1-18-14-8-4-12(5-9-14)15(17)10-11-2-6-13(16)7-3-11/h2-9,15H,10,17H2,1H3

InChIKey

KOYUEGTWVHRMAR-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 261.09204 Da
Monoisotopic Mass: 3.4
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]+	262.09932	159.1
[M+Na]+	284.08126	166.8
[M-H]-	260.08476	165.2
[M+NH4]+	279.12586	176.2
[M+K]+	300.05520	161.4
[M+H-H2O]+	244.08930	152.4
[M+HCOO]-	306.09024	178.2
[M+CH3COO]-	320.10589	198.1
[M+Na-2H]-	282.06671	162.7
[M]+	261.09149	160.7
[M]-	261.09259	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe