CID 521391

Pentacyclo(9.5.1.13,9.15,15.17,13)octasiloxane, 1,3,5,7,9,11,13,15-octaphenyl-

Structural Information

Molecular Formula
C48H40O12Si8
SMILES
C1=CC=C(C=C1)[Si]23O[Si]4(O[Si]5(O[Si](O2)(O[Si]6(O[Si](O3)(O[Si](O4)(O[Si](O5)(O6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChI
InChI=1S/C48H40O12Si8/c1-9-25-41(26-10-1)61-49-62(42-27-11-2-12-28-42)52-65(45-33-17-5-18-34-45)54-63(50-61,43-29-13-3-14-30-43)56-67(47-37-21-7-22-38-47)57-64(51-61,44-31-15-4-16-32-44)55-66(53-62,46-35-19-6-20-36-46)59-68(58-65,60-67)48-39-23-8-24-40-48/h1-40H
InChIKey
KBXJHRABGYYAFC-UHFFFAOYSA-N
Compound name
1,3,5,7,9,11,13,15-octakis-phenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2587
Patents

1032.0674 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1033.0747 311.5
[M+Na]+ 1055.0566 311.5
[M-H]- 1031.0601 311.5
[M+NH4]+ 1050.1012 311.5
[M+K]+ 1071.0306 311.5
[M+H-H2O]+ 1015.0647 311.5
[M+HCOO]- 1077.0656 311.5
[M+CH3COO]- 1091.0813 311.5
[M+Na-2H]- 1053.0421 311.5
[M]+ 1032.0669 311.5
[M]- 1032.0679 311.5
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