CID 10921254

88023-78-3

Structural Information

Molecular Formula

C₉H₁₁ClO₂

SMILES

COC1=CC=C(C=C1)COCCl

InChI

InChI=1S/C9H11ClO2/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5H,6-7H2,1H3

InChIKey

DNZXMWKFPMIKRG-UHFFFAOYSA-N

Compound name

1-(chloromethoxymethyl)-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
Patents: 186.04475 Da
Monoisotopic Mass: 2.3
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]+	187.05203	135.4
[M+Na]+	209.03397	144.6
[M-H]-	185.03747	139.2
[M+NH4]+	204.07857	156.4
[M+K]+	225.00791	141.7
[M+H-H2O]+	169.04201	130.6
[M+HCOO]-	231.04295	155.9
[M+CH3COO]-	245.05860	180.4
[M+Na-2H]-	207.01942	142.6
[M]+	186.04420	140.6
[M]-	186.04530	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe