CID 101546

Ethyl 2,4-dichloro-3-oxobutanoate

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

38
Patents

197.98505 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99233 134.0
[M+Na]+ 220.97427 142.4
[M-H]- 196.97777 134.1
[M+NH4]+ 216.01887 154.6
[M+K]+ 236.94821 139.8
[M+H-H2O]+ 180.98231 131.7
[M+HCOO]- 242.98325 146.7
[M+CH3COO]- 256.99890 181.9
[M+Na-2H]- 218.95972 136.7
[M]+ 197.98450 139.1
[M]- 197.98560 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe