CID 71425835

919005-40-6

Structural Information

Molecular Formula

C₅H₃F₇O₄

SMILES

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

InChI

InChI=1S/C5H3F7O4/c6-3(7,15-1-2(13)14)4(8,9)16-5(10,11)12/h1H2,(H,13,14)

InChIKey

UAYQEKBPFNNGSX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 34
Patents: 259.99194 Da
Monoisotopic Mass: 2.3
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]+	260.99922	141.5
[M+Na]+	282.98116	150.1
[M-H]-	258.98466	132.0
[M+NH4]+	278.02576	157.0
[M+K]+	298.95510	149.4
[M+H-H2O]+	242.98920	132.1
[M+HCOO]-	304.99014	152.1
[M+CH3COO]-	319.00579	190.1
[M+Na-2H]-	280.96661	146.1
[M]+	259.99139	133.8
[M]-	259.99249	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe