CID 5460735

Dichlorodi-pi-indenyltitanium

Structural Information

Molecular Formula

C₉H₈

SMILES

C1C=CC2=CC=CC2=C1

InChI

InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1,3-7H,2H2

InChIKey

QPRAQLAXVQPPKA-UHFFFAOYSA-N

Compound name

5H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 116.0626 Da
Monoisotopic Mass: 2.3
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]+	117.06988	119.9
[M+Na]+	139.05182	128.8
[M-H]-	115.05532	124.7
[M+NH4]+	134.09642	145.4
[M+K]+	155.02576	126.4
[M+H-H2O]+	99.059860	115.0
[M+HCOO]-	161.06080	145.3
[M+CH3COO]-	175.07645	135.4
[M+Na-2H]-	137.03727	128.9
[M]+	116.06205	119.4
[M]-	116.06315	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe