CID 75188

2216-63-9

Structural Information

Molecular Formula

C₁₀H₁₁Cl

SMILES

CC1=C2CCCC2=C(C=C1)Cl

InChI

InChI=1S/C10H11Cl/c1-7-5-6-10(11)9-4-2-3-8(7)9/h5-6H,2-4H2,1H3

InChIKey

NTFHYNQQJUEULI-UHFFFAOYSA-N

Compound name

4-chloro-7-methyl-2,3-dihydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 166.05493 Da
Monoisotopic Mass: 3.8
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	131.1
[M+Na]+	189.04415	145.7
[M+NH4]+	184.08875	142.5
[M+K]+	205.01809	138.8
[M-H]-	165.04765	134.8
[M+Na-2H]-	187.02960	138.2
[M]+	166.05438	134.7
[M]-	166.05548	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe