CID 9751

Ethylene glycol difluoroacetate

Structural Information

Molecular Formula

C₆H₈F₂O₄

SMILES

C(COC(=O)CF)OC(=O)CF

InChI

InChI=1S/C6H8F2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2

InChIKey

QNUCSQIOPQLZPK-UHFFFAOYSA-N

Compound name

2-(2-fluoroacetyl)oxyethyl 2-fluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.03906 Da
Monoisotopic Mass: 0.8
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]+	183.04634	132.9
[M+Na]+	205.02828	140.3
[M-H]-	181.03178	130.5
[M+NH4]+	200.07288	152.6
[M+K]+	221.00222	140.9
[M+H-H2O]+	165.03632	126.2
[M+HCOO]-	227.03726	154.0
[M+CH3COO]-	241.05291	179.1
[M+Na-2H]-	203.01373	136.4
[M]+	182.03851	134.7
[M]-	182.03961	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe