CID 43104782

Ethyl 4-(2,6-dichloro-3-fluorophenyl)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C12H9Cl2FO4
SMILES
CCOC(=O)C(=O)CC(=O)C1=C(C=CC(=C1Cl)F)Cl
InChI
InChI=1S/C12H9Cl2FO4/c1-2-19-12(18)9(17)5-8(16)10-6(13)3-4-7(15)11(10)14/h3-4H,2,5H2,1H3
InChIKey
ZNWRLCTUZLOYOB-UHFFFAOYSA-N
Compound name
ethyl 4-(2,6-dichloro-3-fluorophenyl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.9862 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.99348 154.9
[M+Na]+ 328.97542 165.0
[M-H]- 304.97892 157.4
[M+NH4]+ 324.02002 171.6
[M+K]+ 344.94936 160.5
[M+H-H2O]+ 288.98346 150.4
[M+HCOO]- 350.98440 166.7
[M+CH3COO]- 365.00005 202.2
[M+Na-2H]- 326.96087 154.8
[M]+ 305.98565 161.2
[M]- 305.98675 161.2
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

No patent data available for this compound.