CID 9961

Ethyl difluoroacetate

Structural Information

Molecular Formula

C₄H₆F₂O₂

SMILES

CCOC(=O)C(F)F

InChI

InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

InChIKey

GZKHDVAKKLTJPO-UHFFFAOYSA-N

Compound name

ethyl 2,2-difluoroacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3921
Patents: 124.033585 Da
Monoisotopic Mass: 0.9
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]+	125.04086	124.7
[M+Na]+	147.02280	133.0
[M+NH4]+	142.06741	130.9
[M+K]+	162.99674	129.1
[M-H]-	123.02631	120.6
[M+Na-2H]-	145.00825	126.8
[M]+	124.03304	124.2
[M]-	124.03413	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe