CID 57360049

3,3-bis(trichlorosilylpropoxymethyl)-5-oxa-tridecane

Structural Information

Molecular Formula
C20H40Cl6O3Si2
SMILES
CCCCCCCCOCC(CC)(COCCC[Si](Cl)(Cl)Cl)COCCC[Si](Cl)(Cl)Cl
InChI
InChI=1S/C20H40Cl6O3Si2/c1-3-5-6-7-8-9-12-27-17-20(4-2,18-28-13-10-15-30(21,22)23)19-29-14-11-16-31(24,25)26/h3-19H2,1-2H3
InChIKey
QHXJOBFRXJGCIV-UHFFFAOYSA-N
Compound name
trichloro-[3-[2-(octoxymethyl)-2-(3-trichlorosilylpropoxymethyl)butoxy]propyl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

594.0647 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.07198 234.2
[M+Na]+ 617.05392 235.0
[M-H]- 593.05742 226.7
[M+NH4]+ 612.09852 239.4
[M+K]+ 633.02786 228.9
[M+H-H2O]+ 577.06196 229.8
[M+HCOO]- 639.06290 219.0
[M+CH3COO]- 653.07855 244.7
[M+Na-2H]- 615.03937 228.4
[M]+ 594.06415 239.0
[M]- 594.06525 239.0
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