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 146.0
[M+Na]+ 269.96952 159.8
[M+NH4]+ 265.01412 153.2
[M+K]+ 285.94346 153.9
[M-H]- 245.97302 146.1
[M+Na-2H]- 267.95497 151.8
[M]+ 246.97975 148.4
[M]- 246.98085 148.4
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.