CID 101546

88-00-6

Structural Information

Molecular Formula

C₆H₈Cl₂O₃

SMILES

CCOC(=O)C(C(=O)CCl)Cl

InChI

InChI=1S/C6H8Cl2O3/c1-2-11-6(10)5(8)4(9)3-7/h5H,2-3H2,1H3

InChIKey

GPDFVBIDCBPHSW-UHFFFAOYSA-N

Compound name

ethyl 2,4-dichloro-3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 197.98505 Da
Monoisotopic Mass: 1.7
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]+	198.99233	135.4
[M+Na]+	220.97427	145.9
[M+NH4]+	216.01887	142.5
[M+K]+	236.94821	141.4
[M-H]-	196.97777	133.3
[M+Na-2H]-	218.95972	138.2
[M]+	197.98450	136.5
[M]-	197.98560	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe