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

literature stripe

Patent stripe

patents stripe