CID 13384257

2-(chloromethyl)-6-methoxynaphthalene

Structural Information

Molecular Formula

C₁₂H₁₁ClO

SMILES

COC1=CC2=C(C=C1)C=C(C=C2)CCl

InChI

InChI=1S/C12H11ClO/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-7H,8H2,1H3

InChIKey

JYLGKVDVIPITQM-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-6-methoxynaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 206.04984 Da
Monoisotopic Mass: 3.6
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]+	207.05712	140.1
[M+Na]+	229.03906	156.8
[M+NH4]+	224.08366	151.0
[M+K]+	245.01300	147.4
[M-H]-	205.04256	144.4
[M+Na-2H]-	227.02451	149.1
[M]+	206.04929	144.3
[M]-	206.05039	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe