CID 248391

Ethyl 2,2-dichloro-2-ethoxyacetate

Structural Information

Molecular Formula
C6H10Cl2O3
SMILES
CCOC(=O)C(OCC)(Cl)Cl
InChI
InChI=1S/C6H10Cl2O3/c1-3-10-5(9)6(7,8)11-4-2/h3-4H2,1-2H3
InChIKey
LISFRSVACTWQKK-UHFFFAOYSA-N
Compound name
ethyl 2,2-dichloro-2-ethoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

200.0007 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00798 136.2
[M+Na]+ 222.98992 145.2
[M-H]- 198.99342 136.4
[M+NH4]+ 218.03452 157.0
[M+K]+ 238.96386 142.7
[M+H-H2O]+ 182.99796 134.0
[M+HCOO]- 244.99890 149.0
[M+CH3COO]- 259.01455 181.4
[M+Na-2H]- 220.97537 141.9
[M]+ 200.00015 142.6
[M]- 200.00125 142.6
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