CID 12847397

1578-75-2

Structural Information

Molecular Formula

C₉H₁₅FO₄

SMILES

CCC(C(=O)OCC)(C(=O)OCC)F

InChI

InChI=1S/C9H15FO4/c1-4-9(10,7(11)13-5-2)8(12)14-6-3/h4-6H2,1-3H3

InChIKey

AGKXLOQGNAMZSQ-UHFFFAOYSA-N

Compound name

diethyl 2-ethyl-2-fluoropropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 206.09544 Da
Monoisotopic Mass: 2.1
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]+	207.10272	143.7
[M+Na]+	229.08466	150.4
[M-H]-	205.08816	142.6
[M+NH4]+	224.12926	162.8
[M+K]+	245.05860	151.0
[M+H-H2O]+	189.09270	138.3
[M+HCOO]-	251.09364	163.4
[M+CH3COO]-	265.10929	185.7
[M+Na-2H]-	227.07011	147.1
[M]+	206.09489	147.5
[M]-	206.09599	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe