CID 9944019

2094163-23-0

Structural Information

Molecular Formula

C₁₅H₁₅Cl₂NO

SMILES

CC(C1=CC=CC=C1OC2=CC(=C(C=C2)Cl)Cl)NC

InChI

InChI=1S/C15H15Cl2NO/c1-10(18-2)12-5-3-4-6-15(12)19-11-7-8-13(16)14(17)9-11/h3-10,18H,1-2H3

InChIKey

LWHZIZQQEKJCCP-UHFFFAOYSA-N

Compound name

1-[2-(3,4-dichlorophenoxy)phenyl]-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 295.05307 Da
Monoisotopic Mass: 4.5
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]+	296.06035	164.3
[M+Na]+	318.04229	173.3
[M-H]-	294.04579	170.4
[M+NH4]+	313.08689	181.0
[M+K]+	334.01623	167.0
[M+H-H2O]+	278.05033	158.4
[M+HCOO]-	340.05127	178.9
[M+CH3COO]-	354.06692	204.2
[M+Na-2H]-	316.02774	167.5
[M]+	295.05252	168.6
[M]-	295.05362	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe