CID 2782625

(triethoxysilyl)pentafluorobenzene

Structural Information

Molecular Formula

C₁₂H₁₅F₅O₃Si

SMILES

CCO[Si](C1=C(C(=C(C(=C1F)F)F)F)F)(OCC)OCC

InChI

InChI=1S/C12H15F5O3Si/c1-4-18-21(19-5-2,20-6-3)12-10(16)8(14)7(13)9(15)11(12)17/h4-6H2,1-3H3

InChIKey

QALDFNLNVLQDSP-UHFFFAOYSA-N

Compound name

triethoxy-(2,3,4,5,6-pentafluorophenyl)silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1041
Patents: 330.07108 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]+	331.07836	166.2
[M+Na]+	353.06030	176.8
[M-H]-	329.06380	164.0
[M+NH4]+	348.10490	181.7
[M+K]+	369.03424	174.0
[M+H-H2O]+	313.06834	155.9
[M+HCOO]-	375.06928	182.8
[M+CH3COO]-	389.08493	209.8
[M+Na-2H]-	351.04575	166.4
[M]+	330.07053	167.1
[M]-	330.07163	167.1

Literature stripe

literature stripe

Patent stripe

patents stripe