CID 366086

Nsc634298

Structural Information

Molecular Formula
C39H57ClO6SSi2
SMILES
CCOC(CCCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)OC(COS(=O)(=O)C3=CC=C(C=C3)C)C(CCC(=C)[Si](C)(C)C)Cl
InChI
InChI=1S/C39H57ClO6SSi2/c1-10-43-38(22-17-29-45-49(39(4,5)6,34-18-13-11-14-19-34)35-20-15-12-16-21-35)46-37(36(40)28-25-32(3)48(7,8)9)30-44-47(41,42)33-26-23-31(2)24-27-33/h11-16,18-21,23-24,26-27,36-38H,3,10,17,22,25,28-30H2,1-2,4-9H3
InChIKey
LCSUNLQFACKFRC-UHFFFAOYSA-N
Compound name
[2-[4-[tert-butyl(diphenyl)silyl]oxy-1-ethoxybutoxy]-3-chloro-6-trimethylsilylhept-6-enyl] 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

744.3103 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.31758 272.0
[M+Na]+ 767.29952 268.8
[M-H]- 743.30302 278.0
[M+NH4]+ 762.34412 270.0
[M+K]+ 783.27346 265.1
[M+H-H2O]+ 727.30756 261.5
[M+HCOO]- 789.30850 270.9
[M+CH3COO]- 803.32415 276.9
[M+Na-2H]- 765.28497 269.3
[M]+ 744.30975 284.2
[M]- 744.31085 284.2
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.