CID 2737200

Ethyl difluoro(iodo)acetate

Structural Information

Molecular Formula

C₄H₅F₂IO₂

SMILES

CCOC(=O)C(F)(F)I

InChI

InChI=1S/C4H5F2IO2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChIKey

HGWXXIZVRRTDKT-UHFFFAOYSA-N

Compound name

ethyl 2,2-difluoro-2-iodoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 333
Patents: 249.93024 Da
Monoisotopic Mass: 1.5
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]+	250.93752	133.7
[M+Na]+	272.91946	135.2
[M-H]-	248.92296	125.4
[M+NH4]+	267.96406	150.3
[M+K]+	288.89340	141.1
[M+H-H2O]+	232.92750	124.7
[M+HCOO]-	294.92844	149.1
[M+CH3COO]-	308.94409	182.0
[M+Na-2H]-	270.90491	127.4
[M]+	249.92969	130.5
[M]-	249.93079	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe