CID 74892487

2726492-80-2

Structural Information

Molecular Formula

C₁₅H₁₃Cl₄NO

SMILES

C1=CC(=C(C(=C1)Cl)COC(CN)C2=C(C=C(C=C2)Cl)Cl)Cl

InChI

InChI=1S/C15H13Cl4NO/c16-9-4-5-10(14(19)6-9)15(7-20)21-8-11-12(17)2-1-3-13(11)18/h1-6,15H,7-8,20H2

InChIKey

YEFWMFSHHWNWBA-UHFFFAOYSA-N

Compound name

2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 362.97513 Da
Monoisotopic Mass: 4.7
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]+	363.982406	176.1
[M+Na]+	385.964348	185.3
[M-H]-	361.967854	178.8
[M+NH4]+	381.008953	189.7
[M+K]+	401.938288	178.0
[M+H-H2O]+	345.972390	171.6
[M+HCOO]-	407.973331	179.0
[M+CH3COO]-	421.988981	214.6
[M+Na-2H]-	383.949796	175.2
[M]+	362.97458142	179.3
[M]-	362.97567858	179.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.