CID 23579059

Tricyclo[7.3.3.15,11]heptasiloxane-3,7,14-triol, 1,3,5,7,9,11,14-heptaphenyl-

Structural Information

Molecular Formula
C42H38O12Si7
SMILES
C1=CC=C(C=C1)[Si]2(O[Si]3(O[Si](O[Si]4(O[Si](O[Si](O2)(O[Si](O3)(O4)C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)O)C8=CC=CC=C8)(C9=CC=CC=C9)O)C1=CC=CC=C1)O
InChI
InChI=1S/C42H38O12Si7/c43-55(36-22-8-1-9-23-36)46-58(39-28-14-4-15-29-39)48-56(44,37-24-10-2-11-25-37)50-60(41-32-18-6-19-33-41)51-57(45,38-26-12-3-13-27-38)49-59(47-55,40-30-16-5-17-31-40)53-61(52-58,54-60)42-34-20-7-21-35-42/h1-35,43-45H
InChIKey
UDRGDXJRPXCVOA-UHFFFAOYSA-N
Compound name
3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

75
Patents

930.0748 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 931.08208 310.8
[M+Na]+ 953.06402 310.8
[M-H]- 929.06752 310.8
[M+NH4]+ 948.10862 310.8
[M+K]+ 969.03796 310.8
[M+H-H2O]+ 913.07206 310.8
[M+HCOO]- 975.07300 310.8
[M+CH3COO]- 989.08865 310.8
[M+Na-2H]- 951.04947 310.9
[M]+ 930.07425 310.8
[M]- 930.07535 310.8
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