CID 67863

Trimethylsilyl trifluoroacetate

Structural Information

Molecular Formula

C₅H₉F₃O₂Si

SMILES

C[Si](C)(C)OC(=O)C(F)(F)F

InChI

InChI=1S/C5H9F3O2Si/c1-11(2,3)10-4(9)5(6,7)8/h1-3H3

InChIKey

VIYXXANHGYSBLY-UHFFFAOYSA-N

Compound name

trimethylsilyl 2,2,2-trifluoroacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1233
Patents: 186.0324 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]+	187.03968	131.9
[M+Na]+	209.02162	140.3
[M-H]-	185.02512	128.8
[M+NH4]+	204.06622	152.5
[M+K]+	224.99556	140.5
[M+H-H2O]+	169.02966	125.8
[M+HCOO]-	231.03060	149.1
[M+CH3COO]-	245.04625	178.9
[M+Na-2H]-	207.00707	137.5
[M]+	186.03185	129.8
[M]-	186.03295	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe