CID 11858742

188748-63-2

Structural Information

Molecular Formula

C₁₃H₁₉F₃O₃Si

SMILES

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

InChI

InChI=1S/C13H19F3O3Si/c1-4-17-20(18-5-2,19-6-3)12-9-7-11(8-10-12)13(14,15)16/h7-10H,4-6H2,1-3H3

InChIKey

PBTDWUVVCOLMFE-UHFFFAOYSA-N

Compound name

triethoxy-[4-(trifluoromethyl)phenyl]silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 452
Patents: 308.10556 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]+	309.11284	167.2
[M+Na]+	331.09478	174.3
[M-H]-	307.09828	166.5
[M+NH4]+	326.13938	182.9
[M+K]+	347.06872	172.4
[M+H-H2O]+	291.10282	158.4
[M+HCOO]-	353.10376	184.3
[M+CH3COO]-	367.11941	202.1
[M+Na-2H]-	329.08023	171.7
[M]+	308.10501	169.0
[M]-	308.10611	169.0

Literature stripe

literature stripe

Patent stripe

patents stripe