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

130
Patents

266.20346 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.21074 167.3
[M+Na]+ 289.19268 171.7
[M-H]- 265.19618 174.4
[M+NH4]+ 284.23728 189.0
[M+K]+ 305.16662 165.8
[M+H-H2O]+ 249.20072 160.4
[M+HCOO]- 311.20166 185.0
[M+CH3COO]- 325.21731 178.0
[M+Na-2H]- 287.17813 166.5
[M]+ 266.20291 162.4
[M]- 266.20401 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