CID 213425

O-(2-dimethylaminoethoxy)phenyl p-chlorophenyl ether hydrochloride

Structural Information

Molecular Formula

C₁₆H₁₈ClNO₂

SMILES

CN(C)CCOC1=CC=CC=C1OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18ClNO2/c1-18(2)11-12-19-15-5-3-4-6-16(15)20-14-9-7-13(17)8-10-14/h3-10H,11-12H2,1-2H3

InChIKey

LZADXLBJOWWFSD-UHFFFAOYSA-N

Compound name

2-[2-(4-chlorophenoxy)phenoxy]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.1026 Da
Monoisotopic Mass: 4.1
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]+	292.109876	166.1
[M+Na]+	314.091818	173.7
[M-H]-	290.095324	174.0
[M+NH4]+	309.136423	182.9
[M+K]+	330.065758	169.9
[M+H-H2O]+	274.099860	158.5
[M+HCOO]-	336.100801	187.2
[M+CH3COO]-	350.116451	206.3
[M+Na-2H]-	312.077266	170.7
[M]+	291.10205142	172.3
[M]-	291.10314858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.