CID 4307914

(4-chlorophenyl)trihexadecylsilane

Structural Information

Molecular Formula
C54H103ClSi
SMILES
CCCCCCCCCCCCCCCC[Si](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C54H103ClSi/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-50-56(54-48-46-53(55)47-49-54,51-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)52-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-49H,4-45,50-52H2,1-3H3
InChIKey
NNHXUZSYPNFRLY-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-trihexadecylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

814.7518 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 815.75908 300.7
[M+Na]+ 837.74102 305.5
[M-H]- 813.74452 275.5
[M+NH4]+ 832.78562 298.4
[M+K]+ 853.71496 312.8
[M+H-H2O]+ 797.74906 297.8
[M+HCOO]- 859.75000 309.6
[M+CH3COO]- 873.76565 308.0
[M+Na-2H]- 835.72647 279.2
[M]+ 814.75125 304.3
[M]- 814.75235 304.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.