CID 90492

24413-04-5

Structural Information

Molecular Formula

C₁₀H₁₅ClO₃Si

SMILES

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

InChI

InChI=1S/C10H15ClO3Si/c1-12-15(13-2,14-3)10-6-4-9(8-11)5-7-10/h4-7H,8H2,1-3H3

InChIKey

ZXOFHTCCTUEJQJ-UHFFFAOYSA-N

Compound name

[4-(chloromethyl)phenyl]-trimethoxysilane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1801
Patents: 246.0479 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]+	247.05518	150.0
[M+Na]+	269.03712	158.5
[M-H]-	245.04062	153.6
[M+NH4]+	264.08172	169.2
[M+K]+	285.01106	156.2
[M+H-H2O]+	229.04516	144.9
[M+HCOO]-	291.04610	168.4
[M+CH3COO]-	305.06175	188.9
[M+Na-2H]-	267.02257	156.6
[M]+	246.04735	156.9
[M]-	246.04845	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe