CID 10888353

Methyl 2,3-dichloro-3-oxopropanoate

Structural Information

Molecular Formula

C₄H₄Cl₂O₃

SMILES

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

InChI

InChI=1S/C4H4Cl2O3/c1-9-4(8)2(5)3(6)7/h2H,1H3

InChIKey

VGLAESBBSQCKBP-UHFFFAOYSA-N

Compound name

methyl 2,3-dichloro-3-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 169.95375 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]+	170.96103	124.5
[M+Na]+	192.94297	133.7
[M-H]-	168.94647	124.9
[M+NH4]+	187.98757	146.1
[M+K]+	208.91691	131.6
[M+H-H2O]+	152.95101	122.6
[M+HCOO]-	214.95195	137.8
[M+CH3COO]-	228.96760	176.0
[M+Na-2H]-	190.92842	128.3
[M]+	169.95320	128.8
[M]-	169.95430	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe