CID 2724502

Methyl 2,2-dichloro-2-methoxyacetate

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

147
Patents

171.9694 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.97668 126.7
[M+Na]+ 194.95862 136.5
[M-H]- 170.96212 127.3
[M+NH4]+ 190.00322 148.6
[M+K]+ 210.93256 134.5
[M+H-H2O]+ 154.96666 125.0
[M+HCOO]- 216.96760 140.2
[M+CH3COO]- 230.98325 175.5
[M+Na-2H]- 192.94407 133.5
[M]+ 171.96885 132.4
[M]- 171.96995 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe