CID 528780

150026-95-2

Structural Information

Molecular Formula
C32H96O16Si16
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](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
InChI
InChI=1S/C32H96O16Si16/c1-49(2)33-50(3,4)35-52(7,8)37-54(11,12)39-56(15,16)41-58(19,20)43-60(23,24)45-62(27,28)47-64(31,32)48-63(29,30)46-61(25,26)44-59(21,22)42-57(17,18)40-55(13,14)38-53(9,10)36-51(5,6)34-49/h1-32H3
InChIKey
MZOAFPGUGMRIHV-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-dotriacontamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-hexadecasilacyclodotriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

1184.3007 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1185.307976 183.5
[M+Na]+ 1207.289918 180.2
[M-H]- 1183.293424 185.5
[M+NH4]+ 1202.334523 183.8
[M+K]+ 1223.263858 164.1
[M+H-H2O]+ 1167.297960 189.0
[M+HCOO]- 1229.298901 186.9
[M+CH3COO]- 1243.314551 191.2
[M+Na-2H]- 1205.275366 214.7
[M]+ 1184.30015142 186.6
[M]- 1184.30124858 186.6
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