CID 170695

42861-95-0

Structural Information

Molecular Formula

C₁₂H₁₉ClO₃Si

SMILES

CO[Si](CCC1=CC=CC=C1CCl)(OC)OC

InChI

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

InChIKey

UFTVYYXWUBLQLZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
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]+	275.086476	159.4
[M+Na]+	297.068418	167.2
[M-H]-	273.071924	162.7
[M+NH4]+	292.113023	177.5
[M+K]+	313.042358	164.3
[M+H-H2O]+	257.076460	154.0
[M+HCOO]-	319.077401	177.2
[M+CH3COO]-	333.093051	194.9
[M+Na-2H]-	295.053866	165.0
[M]+	274.07865142	167.1
[M]-	274.07974858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe