CID 10921254

1-[(chloromethoxy)methyl]-4-methoxybenzene

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: 134
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	135.1
[M+Na]+	209.03397	149.4
[M+NH4]+	204.07857	144.5
[M+K]+	225.00791	141.8
[M-H]-	185.03747	137.7
[M+Na-2H]-	207.01942	143.1
[M]+	186.04420	138.3
[M]-	186.04530	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe