CID 75296

1-[2-(2-chloroethoxy)ethoxy]-2-methoxybenzene

Structural Information

Molecular Formula

C₁₁H₁₅ClO₃

SMILES

COC1=CC=CC=C1OCCOCCCl

InChI

InChI=1S/C11H15ClO3/c1-13-10-4-2-3-5-11(10)15-9-8-14-7-6-12/h2-5H,6-9H2,1H3

InChIKey

ISMZWFQULKRSSN-UHFFFAOYSA-N

Compound name

1-[2-(2-chloroethoxy)ethoxy]-2-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 230.07097 Da
Monoisotopic Mass: 1.9
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]+	231.078246	147.7
[M+Na]+	253.060188	155.8
[M-H]-	229.063694	151.0
[M+NH4]+	248.104793	166.8
[M+K]+	269.034128	153.1
[M+H-H2O]+	213.068230	142.2
[M+HCOO]-	275.069171	167.7
[M+CH3COO]-	289.084821	188.3
[M+Na-2H]-	251.045636	153.7
[M]+	230.07042142	155.0
[M]-	230.07151858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe