CID 4233009

146370-52-7

Structural Information

Molecular Formula

C₁₇H₂₆Cl₂O₂

SMILES

CCCCC(CC)COC1=CC(=C(C=C1CCl)OC)CCl

InChI

InChI=1S/C17H26Cl2O2/c1-4-6-7-13(5-2)12-21-17-9-14(10-18)16(20-3)8-15(17)11-19/h8-9,13H,4-7,10-12H2,1-3H3

InChIKey

TXAVEVGYOGQVAN-UHFFFAOYSA-N

Compound name

1,4-bis(chloromethyl)-2-(2-ethylhexoxy)-5-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 256
Patents: 332.13098 Da
Monoisotopic Mass: 5.8
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]+	333.13826	176.5
[M+Na]+	355.12020	190.0
[M+NH4]+	350.16480	184.4
[M+K]+	371.09414	180.9
[M-H]-	331.12370	178.4
[M+Na-2H]-	353.10565	181.3
[M]+	332.13043	179.6
[M]-	332.13153	179.6

Literature stripe

literature stripe

Patent stripe

patents stripe