CID 528777

150026-96-3

Structural Information

Molecular Formula
C34H102O17Si17
SMILES
C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)C
InChI
InChI=1S/C34H102O17Si17/c1-52(2)35-53(3,4)37-55(7,8)39-57(11,12)41-59(15,16)43-61(19,20)45-63(23,24)47-65(27,28)49-67(31,32)51-68(33,34)50-66(29,30)48-64(25,26)46-62(21,22)44-60(17,18)42-58(13,14)40-56(9,10)38-54(5,6)36-52/h1-34H3
InChIKey
QKOWOBLRWSNMKS-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34-tetratriacontamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecasilacyclotetratriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

1258.3195 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1259.326776 184.7
[M+Na]+ 1281.308718 181.1
[M-H]- 1257.312224 187.1
[M+NH4]+ 1276.353323 185.1
[M+K]+ 1297.282658 165.7
[M+H-H2O]+ 1241.316760 190.8
[M+HCOO]- 1303.317701 188.1
[M+CH3COO]- 1317.333351 192.3
[M+Na-2H]- 1279.294166 215.3
[M]+ 1258.31895142 188.1
[M]- 1258.32004858 188.1
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