CID 528793

149050-40-8

Structural Information

Molecular Formula
C28H84O14Si14
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](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
InChI
InChI=1S/C28H84O14Si14/c1-43(2)29-44(3,4)31-46(7,8)33-48(11,12)35-50(15,16)37-52(19,20)39-54(23,24)41-56(27,28)42-55(25,26)40-53(21,22)38-51(17,18)36-49(13,14)34-47(9,10)32-45(5,6)30-43/h1-28H3
InChIKey
ZHDAYCIVVMINRB-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-octacosamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecasilacyclooctacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

1036.2631 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1037.270376 183.1
[M+Na]+ 1059.252318 180.7
[M-H]- 1035.255824 184.5
[M+NH4]+ 1054.296923 183.4
[M+K]+ 1075.226258 163.7
[M+H-H2O]+ 1019.260360 187.1
[M+HCOO]- 1081.261301 186.6
[M+CH3COO]- 1095.276951 191.1
[M+Na-2H]- 1057.237766 215.0
[M]+ 1036.26255142 185.5
[M]- 1036.26364858 185.5
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