PubChemLite - Octavinyl-t8-silsesquioxane (C16H24O12Si8)

Structural Information

Molecular Formula

SMILES

C=C[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]5(O[Si](O2)(O[Si](O3)(O[Si](O4)(O5)C=C)C=C)C=C)C=C)C=C)C=C)C=C

InChI

InChI=1S/C16H24O12Si8/c1-9-29-17-30(10-2)20-33(13-5)22-31(11-3,18-29)24-35(15-7)25-32(12-4,19-29)23-34(14-6,21-30)27-36(16-8,26-33)28-35/h9-16H,1-8H2

InChIKey

ZWCNRMDCQDJIRL-UHFFFAOYSA-N

Compound name

1,3,5,7,9,11,13,15-octakis(ethenyl)-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

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]+	632.94948	112.8
[M+Na]+	654.93142	112.8
[M-H]-	630.93492	112.8
[M+NH4]+	649.97602	112.8
[M+K]+	670.90536	112.8
[M+H-H2O]+	614.93946	112.8
[M+HCOO]-	676.94040	112.8
[M+CH3COO]-	690.95605	112.8
[M+Na-2H]-	652.91687	311.5
[M]+	631.94165	311.5
[M]-	631.94275	311.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

632.94948

112.8

[M+Na]+

654.93142

112.8

[M-H]-

630.93492

112.8

[M+NH4]+

649.97602

112.8

[M+K]+

670.90536

112.8

[M+H-H2O]+

614.93946

112.8

[M+HCOO]-

676.94040

112.8

[M+CH3COO]-

690.95605

112.8

[M+Na-2H]-

652.91687

311.5

[M]+

631.94165

311.5

[M]-

631.94275

311.5

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

Octavinyl-t8-silsesquioxane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe