CID 68187

Hexaphenylcyclotrisiloxane

Structural Information

Molecular Formula
C36H30O3Si3
SMILES
C1=CC=C(C=C1)[Si]2(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
InChI
InChI=1S/C36H30O3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKey
VCYDUTCMKSROID-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-trioxatrisilinane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4445
Patents

594.15027 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.15755 246.7
[M+Na]+ 617.13949 250.9
[M-H]- 593.14299 265.9
[M+NH4]+ 612.18409 249.2
[M+K]+ 633.11343 248.0
[M+H-H2O]+ 577.14753 227.5
[M+HCOO]- 639.14847 259.9
[M+CH3COO]- 653.16412 251.6
[M+Na-2H]- 615.12494 248.7
[M]+ 594.14972 242.1
[M]- 594.15082 242.1
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