CID 70327

Phenethyltrichlorosilane

Structural Information

Molecular Formula

C₈H₉Cl₃Si

SMILES

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

InChI

InChI=1S/C8H9Cl3Si/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

FMYXZXAKZWIOHO-UHFFFAOYSA-N

Compound name

trichloro(2-phenylethyl)silane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 2133
Patents: 237.9539 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]+	238.96118	145.2
[M+Na]+	260.94312	154.0
[M-H]-	236.94662	146.6
[M+NH4]+	255.98772	164.5
[M+K]+	276.91706	147.8
[M+H-H2O]+	220.95116	141.7
[M+HCOO]-	282.95210	152.7
[M+CH3COO]-	296.96775	186.3
[M+Na-2H]-	258.92857	151.1
[M]+	237.95335	147.4
[M]-	237.95445	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe