CID 3504952

Dichloro[(r,r)-ethylenebis(4,5,6,7-tetrahydro-1-indenyl)]titanium(iv)

Structural Information

Molecular Formula
C20H26
SMILES
C1CCC2=C(C1)C=CC2CCC3C=CC4=C3CCCC4
InChI
InChI=1S/C20H26/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h9-12,17-18H,1-8,13-14H2
InChIKey
PZHNKNVDNYYCPJ-UHFFFAOYSA-N
Compound name
1-[2-(4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

266.20346 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.210736 167.3
[M+Na]+ 289.192678 171.7
[M-H]- 265.196184 174.4
[M+NH4]+ 284.237283 189.0
[M+K]+ 305.166618 165.8
[M+H-H2O]+ 249.200720 160.4
[M+HCOO]- 311.201661 185.0
[M+CH3COO]- 325.217311 178.0
[M+Na-2H]- 287.178126 166.5
[M]+ 266.20291142 162.4
[M]- 266.20400858 162.4
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