CID 71425837

919005-31-5

Structural Information

Molecular Formula

C₅H₄F₆O₄

SMILES

C(C(=O)O)OC(C(OC(F)(F)F)F)(F)F

InChI

InChI=1S/C5H4F6O4/c6-3(15-5(9,10)11)4(7,8)14-1-2(12)13/h3H,1H2,(H,12,13)

InChIKey

FLTHVWFEQOTAII-UHFFFAOYSA-N

Compound name

2-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 35
Patents: 242.00137 Da
Monoisotopic Mass: 2.0
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]+	243.00865	138.8
[M+Na]+	264.99059	146.8
[M-H]-	240.99409	130.3
[M+NH4]+	260.03519	155.0
[M+K]+	280.96453	146.5
[M+H-H2O]+	224.99863	129.8
[M+HCOO]-	286.99957	151.1
[M+CH3COO]-	301.01522	187.4
[M+Na-2H]-	262.97604	141.8
[M]+	242.00082	132.6
[M]-	242.00192	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe