CID 109504

68128-25-6

Structural Information

Molecular Formula

C₁₂H₁₉ClO₃Si

SMILES

CO[Si](CCC1=CC=C(C=C1)CCl)(OC)OC

InChI

InChI=1S/C12H19ClO3Si/c1-14-17(15-2,16-3)9-8-11-4-6-12(10-13)7-5-11/h4-7H,8-10H2,1-3H3

InChIKey

IOLWRXMELRWXQY-UHFFFAOYSA-N

Compound name

2-[4-(chloromethyl)phenyl]ethyl-trimethoxysilane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 394
Patents: 274.0792 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]+	275.08648	158.7
[M+Na]+	297.06842	171.3
[M+NH4]+	292.11302	166.5
[M+K]+	313.04236	164.3
[M-H]-	273.07192	159.8
[M+Na-2H]-	295.05387	164.7
[M]+	274.07865	161.2
[M]-	274.07975	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe