CID 3013869

Ethyl dichlorofluoroacetate

Structural Information

Molecular Formula

C₄H₅Cl₂FO₂

SMILES

CCOC(=O)C(F)(Cl)Cl

InChI

InChI=1S/C4H5Cl2FO2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChIKey

PPQCNDDNRAEPNU-UHFFFAOYSA-N

Compound name

ethyl 2,2-dichloro-2-fluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 173.96506 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]+	174.97234	126.0
[M+Na]+	196.95428	135.8
[M-H]-	172.95778	125.1
[M+NH4]+	191.99888	147.7
[M+K]+	212.92822	132.9
[M+H-H2O]+	156.96232	123.4
[M+HCOO]-	218.96326	138.2
[M+CH3COO]-	232.97891	176.2
[M+Na-2H]-	194.93973	132.1
[M]+	173.96451	129.0
[M]-	173.96561	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe