CID 53427322

Trichloro(6-phenylhexyl)silane

Structural Information

Molecular Formula

C₁₂H₁₇Cl₃Si

SMILES

C1=CC=C(C=C1)CCCCCC[Si](Cl)(Cl)Cl

InChI

InChI=1S/C12H17Cl3Si/c13-16(14,15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2

InChIKey

ODIAUNNUTSSHMI-UHFFFAOYSA-N

Compound name

trichloro(6-phenylhexyl)silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 294.0165 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.023776	163.5
[M+Na]+	317.005718	170.7
[M-H]-	293.009224	164.2
[M+NH4]+	312.050323	180.7
[M+K]+	332.979658	163.5
[M+H-H2O]+	277.013760	159.1
[M+HCOO]-	339.014701	169.7
[M+CH3COO]-	353.030351	197.7
[M+Na-2H]-	314.991166	167.3
[M]+	294.01595142	167.2
[M]-	294.01704858	167.2

Literature stripe

literature stripe

Patent stripe

patents stripe