CID 2724502

17640-25-4

Structural Information

Molecular Formula

C₄H₆Cl₂O₃

SMILES

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

InChI

InChI=1S/C4H6Cl2O3/c1-8-3(7)4(5,6)9-2/h1-2H3

InChIKey

FWIGIASHGJFYOL-UHFFFAOYSA-N

Compound name

methyl 2,2-dichloro-2-methoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 171.9694 Da
Monoisotopic Mass: 1.2
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]+	172.97668	128.3
[M+Na]+	194.95862	139.5
[M+NH4]+	190.00322	135.9
[M+K]+	210.93256	135.1
[M-H]-	170.96212	126.2
[M+Na-2H]-	192.94407	132.2
[M]+	171.96885	129.7
[M]-	171.96995	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe