PubChemLite - Octaphenylcyclotetrasiloxane (C48H40O4Si4)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	793.20768	223.9
[M+Na]+	815.18962	225.8
[M-H]-	791.19312	232.9
[M+NH4]+	810.23422	221.4
[M+K]+	831.16356	225.6
[M+H-H2O]+	775.19766	211.8
[M+HCOO]-	837.19860	226.7
[M+CH3COO]-	851.21425	222.6
[M+Na-2H]-	813.17507	219.3
[M]+	792.19985	220.4
[M]-	792.20095	220.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

793.20768

223.9

[M+Na]+

815.18962

225.8

[M-H]-

791.19312

232.9

[M+NH4]+

810.23422

221.4

[M+K]+

831.16356

225.6

[M+H-H2O]+

775.19766

211.8

[M+HCOO]-

837.19860

226.7

[M+CH3COO]-

851.21425

222.6

[M+Na-2H]-

813.17507

219.3

[M]+

792.19985

220.4

[M]-

792.20095

220.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Octaphenylcyclotetrasiloxane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe