CID 68347

Octaphenylcyclotetrasiloxane

Structural Information

Molecular Formula
C48H40O4Si4
SMILES
C1=CC=C(C=C1)[Si]2(O[Si](O[Si](O[Si](O2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9
InChI
InChI=1S/C48H40O4Si4/c1-9-25-41(26-10-1)53(42-27-11-2-12-28-42)49-54(43-29-13-3-14-30-43,44-31-15-4-16-32-44)51-56(47-37-21-7-22-38-47,48-39-23-8-24-40-48)52-55(50-53,45-33-17-5-18-34-45)46-35-19-6-20-36-46/h1-40H
InChIKey
VSIKJPJINIDELZ-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8-octakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

7351
Patents

792.2004 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.20768 248.5
[M+Na]+ 815.18962 254.5
[M+NH4]+ 810.23422 251.2
[M+K]+ 831.16356 245.6
[M-H]- 791.19312 254.4
[M+Na-2H]- 813.17507 250.7
[M]+ 792.19985 251.4
[M]- 792.20095 251.4
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