CID 11019232

115686-70-9

Structural Information

Molecular Formula

C₅H₄ClFO₃

SMILES

C=C(COC(=O)C(=O)F)Cl

InChI

InChI=1S/C5H4ClFO3/c1-3(6)2-10-5(9)4(7)8/h1-2H2

InChIKey

VFJFFZOLHSXKOG-UHFFFAOYSA-N

Compound name

2-chloroprop-2-enyl 2-fluoro-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 165.9833 Da
Monoisotopic Mass: 1.6
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]+	166.99058	125.2
[M+Na]+	188.97252	133.9
[M-H]-	164.97602	124.6
[M+NH4]+	184.01712	146.4
[M+K]+	204.94646	132.3
[M+H-H2O]+	148.98056	121.2
[M+HCOO]-	210.98150	142.3
[M+CH3COO]-	224.99715	175.8
[M+Na-2H]-	186.95797	128.5
[M]+	165.98275	127.1
[M]-	165.98385	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe