CID 81106

1-chloromethyl-2-methylnaphthalene

Structural Information

Molecular Formula

C₁₂H₁₁Cl

SMILES

CC1=C(C2=CC=CC=C2C=C1)CCl

InChI

InChI=1S/C12H11Cl/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13/h2-7H,8H2,1H3

InChIKey

STBYRSZXHDPASK-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-2-methylnaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 280
Patents: 190.05493 Da
Monoisotopic Mass: 4.3
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]+	191.06221	137.0
[M+Na]+	213.04415	154.1
[M+NH4]+	208.08875	148.5
[M+K]+	229.01809	144.2
[M-H]-	189.04765	141.8
[M+Na-2H]-	211.02960	146.5
[M]+	190.05438	141.4
[M]-	190.05548	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe