CID 542752

1-chloro-4-(diethoxymethoxy)benzene

Structural Information

Molecular Formula

C₁₁H₁₅ClO₃

SMILES

CCOC(OCC)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C11H15ClO3/c1-3-13-11(14-4-2)15-10-7-5-9(12)6-8-10/h5-8,11H,3-4H2,1-2H3

InChIKey

XAFMQMCKWRIGTQ-UHFFFAOYSA-N

Compound name

1-chloro-4-(diethoxymethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 230.07097 Da
Monoisotopic Mass: 3.2
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]+	231.07825	147.3
[M+Na]+	253.06019	160.4
[M+NH4]+	248.10479	155.7
[M+K]+	269.03413	153.6
[M-H]-	229.06369	149.0
[M+Na-2H]-	251.04564	153.8
[M]+	230.07042	149.9
[M]-	230.07152	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe