CID 21676441

1-(chloromethyl)-2,3-dihydro-1h-indene

Structural Information

Molecular Formula

C₁₀H₁₁Cl

SMILES

C1CC2=CC=CC=C2C1CCl

InChI

InChI=1S/C10H11Cl/c11-7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-7H2

InChIKey

DSLYTYVEQREUFZ-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-2,3-dihydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 166.05493 Da
Monoisotopic Mass: 3.0
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]+	167.06221	134.2
[M+Na]+	189.04415	143.4
[M-H]-	165.04765	138.4
[M+NH4]+	184.08875	158.6
[M+K]+	205.01809	138.7
[M+H-H2O]+	149.05219	129.7
[M+HCOO]-	211.05313	153.0
[M+CH3COO]-	225.06878	148.4
[M+Na-2H]-	187.02960	140.2
[M]+	166.05438	134.8
[M]-	166.05548	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe