CID 528797

23732-94-7

Structural Information

Molecular Formula
C26H78O13Si13
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](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
InChI
InChI=1S/C26H78O13Si13/c1-40(2)27-41(3,4)29-43(7,8)31-45(11,12)33-47(15,16)35-49(19,20)37-51(23,24)39-52(25,26)38-50(21,22)36-48(17,18)34-46(13,14)32-44(9,10)30-42(5,6)28-40/h1-26H3
InChIKey
JESOOKQYHPPUDI-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-hexacosamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecasilacyclohexacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

962.24426 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 963.251536 183.8
[M+Na]+ 985.233478 181.9
[M-H]- 961.236984 184.8
[M+NH4]+ 980.278083 184.1
[M+K]+ 1001.207418 164.6
[M+H-H2O]+ 945.241520 186.8
[M+HCOO]- 1007.242461 187.3
[M+CH3COO]- 1021.258111 191.9
[M+Na-2H]- 983.218926 215.6
[M]+ 962.24371142 185.9
[M]- 962.24480858 185.9
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