CID 16132534

Heptacyclo(11.11.1.13,9.15,21.17,19.111,17.115,23)dodecasiloxane, 1,3,5,7,9,11,13,15,17,19,21,23-dodecaphenyl-

Structural Information

Molecular Formula
C72H60O18Si12
SMILES
C1=CC=C(C=C1)[Si]23O[Si]4(O[Si]5(O[Si](O2)(O[Si]6(O[Si]7(O[Si]8(O[Si](O6)(O[Si](O3)(O[Si](O4)(O[Si](O8)(O[Si](O7)(O5)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChI
InChI=1S/C72H60O18Si12/c1-13-37-61(38-14-1)91-73-99(69-53-29-9-30-54-69)76-94(64-43-19-4-20-44-64)83-97(67-49-25-7-26-50-67)79-100(89-99,70-55-31-10-32-56-70)74-92(81-91,62-39-15-2-16-40-62)86-96(66-47-23-6-24-48-66)78-101(71-57-33-11-34-58-71)75-93(85-91,63-41-17-3-18-42-63)82-95(87-94,65-45-21-5-22-46-65)77-102(90-101,72-59-35-12-36-60-72)80-98(84-96,88-97)68-51-27-8-28-52-68/h1-60H
InChIKey
ZDJQTJDLPJRVLU-UHFFFAOYSA-N
Compound name
1,3,5,7,9,11,13,15,17,19,21,23-dodecakis-phenyl-2,4,6,8,10,12,14,16,18,20,22,24,25,26,27,28,29,30-octadecaoxa-1,3,5,7,9,11,13,15,17,19,21,23-dodecasilaheptacyclo[11.11.1.13,9.15,21.17,19.111,17.115,23]triacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

1548.1011 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1549.1084 311.5
[M+Na]+ 1571.0903 311.5
[M-H]- 1547.0938 311.5
[M+NH4]+ 1566.1349 311.5
[M+K]+ 1587.0643 311.5
[M+H-H2O]+ 1531.0984 311.5
[M+HCOO]- 1593.0993 311.5
[M+CH3COO]- 1607.1150 311.5
[M+Na-2H]- 1569.0758 311.5
[M]+ 1548.1006 311.5
[M]- 1548.1016 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

No literature data available for this compound.

Patent stripe

patents stripe