CID 89018

(4-chlorophenyl)triethoxysilane

Structural Information

Molecular Formula

C₁₂H₁₉ClO₃Si

SMILES

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

InChI

InChI=1S/C12H19ClO3Si/c1-4-14-17(15-5-2,16-6-3)12-9-7-11(13)8-10-12/h7-10H,4-6H2,1-3H3

InChIKey

AFILDYMJSTXBAR-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-triethoxysilane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 788
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

literature stripe

Patent stripe

patents stripe