CID 3070159

Brn 5705154

Structural Information

Molecular Formula
C36H35Cl3O9Si
SMILES
CCOC(=O)C(C1=CC=CC=C1Cl)O[Si](C2=CC=CC=C2)(OC(C3=CC=CC=C3Cl)C(=O)OCC)OC(C4=CC=CC=C4Cl)C(=O)OCC
InChI
InChI=1S/C36H35Cl3O9Si/c1-4-43-34(40)31(25-18-10-13-21-28(25)37)46-49(24-16-8-7-9-17-24,47-32(35(41)44-5-2)26-19-11-14-22-29(26)38)48-33(36(42)45-6-3)27-20-12-15-23-30(27)39/h7-23,31-33H,4-6H2,1-3H3
InChIKey
VUPHRJJWEJHUJZ-UHFFFAOYSA-N
Compound name
ethyl 2-[bis[1-(2-chlorophenyl)-2-ethoxy-2-oxoethoxy]-phenylsilyl]oxy-2-(2-chlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

744.1116 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.11888 253.1
[M+Na]+ 767.10082 253.7
[M-H]- 743.10432 262.5
[M+NH4]+ 762.14542 250.9
[M+K]+ 783.07476 252.4
[M+H-H2O]+ 727.10886 242.7
[M+HCOO]- 789.10980 253.1
[M+CH3COO]- 803.12545 272.0
[M+Na-2H]- 765.08627 247.8
[M]+ 744.11105 267.4
[M]- 744.11215 267.4
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

No patent data available for this compound.