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

988
Patents

120.0939 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.10118 123.7
[M+Na]+ 143.08312 130.5
[M-H]- 119.08662 127.8
[M+NH4]+ 138.12772 148.9
[M+K]+ 159.05706 128.5
[M+H-H2O]+ 103.09116 118.7
[M+HCOO]- 165.09210 146.1
[M+CH3COO]- 179.10775 138.0
[M+Na-2H]- 141.06857 130.6
[M]+ 120.09335 120.2
[M]- 120.09445 120.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe