CID 202574

Titanium, dichlorobis(4,5,6,7-tetrahydro-pi-indenyl)-

Structural Information

Molecular Formula

C₉H₁₂

SMILES

C1CCC2=CC=CC2C1

InChI

InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h3,6-8H,1-2,4-5H2

InChIKey

JRBAQAMOIBHJRP-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-3aH-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 964
Patents: 120.0939 Da
Monoisotopic Mass: 2.9
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]+	121.101176	123.7
[M+Na]+	143.083118	130.5
[M-H]-	119.086624	127.8
[M+NH4]+	138.127723	148.9
[M+K]+	159.057058	128.5
[M+H-H2O]+	103.091160	118.7
[M+HCOO]-	165.092101	146.1
[M+CH3COO]-	179.107751	138.0
[M+Na-2H]-	141.068566	130.6
[M]+	120.09335142	120.2
[M]-	120.09444858	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe