CID 214343

Halonamine

Structural Information

Molecular Formula

C₁₅H₁₅ClFNO

SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)OCCN)F

InChI

InChI=1S/C15H15ClFNO/c16-13-5-1-11(2-6-13)15(19-10-9-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2

InChIKey

ZBBVHMNIPBVCRP-UHFFFAOYSA-N

Compound name

2-[(4-chlorophenyl)-(4-fluorophenyl)methoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 279.0826 Da
Monoisotopic Mass: 3.1
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]+	280.089876	161.5
[M+Na]+	302.071818	169.3
[M-H]-	278.075324	166.2
[M+NH4]+	297.116423	177.8
[M+K]+	318.045758	163.4
[M+H-H2O]+	262.079860	153.8
[M+HCOO]-	324.080801	179.6
[M+CH3COO]-	338.096451	200.8
[M+Na-2H]-	300.057266	164.6
[M]+	279.08205142	162.1
[M]-	279.08314858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.