CID 44629825

Methyloctadecyl(3-phenylpropyl)chlorosilane

Structural Information

Molecular Formula
C28H51ClSi
SMILES
CCCCCCCCCCCCCCCCCC[Si](C)(CCCC1=CC=CC=C1)Cl
InChI
InChI=1S/C28H51ClSi/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-30(2,29)27-22-25-28-23-19-18-20-24-28/h18-20,23-24H,3-17,21-22,25-27H2,1-2H3
InChIKey
OLYMXDLPDDXGGI-UHFFFAOYSA-N
Compound name
chloro-methyl-octadecyl-(3-phenylpropyl)silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

450.34485 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.35213 223.9
[M+Na]+ 473.33407 224.0
[M-H]- 449.33757 223.4
[M+NH4]+ 468.37867 234.4
[M+K]+ 489.30801 215.2
[M+H-H2O]+ 433.34211 215.2
[M+HCOO]- 495.34305 235.3
[M+CH3COO]- 509.35870 235.4
[M+Na-2H]- 471.31952 221.0
[M]+ 450.34430 232.5
[M]- 450.34540 232.5
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