CID 155977710

2228740-72-3

Structural Information

Molecular Formula
C9H7Cl2NO3
SMILES
COC(=O)CC(=O)C1=CN=C(C=C1Cl)Cl
InChI
InChI=1S/C9H7Cl2NO3/c1-15-9(14)3-7(13)5-4-12-8(11)2-6(5)10/h2,4H,3H2,1H3
InChIKey
SFEHETKKBUVWCJ-UHFFFAOYSA-N
Compound name
methyl 3-(4,6-dichloropyridin-3-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.9803 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.98758 143.4
[M+Na]+ 269.96952 153.8
[M-H]- 245.97302 145.7
[M+NH4]+ 265.01412 161.0
[M+K]+ 285.94346 149.8
[M+H-H2O]+ 229.97756 138.8
[M+HCOO]- 291.97850 156.3
[M+CH3COO]- 305.99415 190.1
[M+Na-2H]- 267.95497 147.1
[M]+ 246.97975 149.3
[M]- 246.98085 149.3
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.