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-dichloro-3-pyridinyl)-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]+ 247.987576 143.4
[M+Na]+ 269.969518 153.8
[M-H]- 245.973024 145.7
[M+NH4]+ 265.014123 161.0
[M+K]+ 285.943458 149.8
[M+H-H2O]+ 229.977560 138.8
[M+HCOO]- 291.978501 156.3
[M+CH3COO]- 305.994151 190.1
[M+Na-2H]- 267.954966 147.1
[M]+ 246.97975142 149.3
[M]- 246.98084858 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.