CID 212853

25177-50-8

Structural Information

Molecular Formula
C9H9Cl2NO3
SMILES
CCOC(=O)CN1C=C(C=C(C1=O)Cl)Cl
InChI
InChI=1S/C9H9Cl2NO3/c1-2-15-8(13)5-12-4-6(10)3-7(11)9(12)14/h3-4H,2,5H2,1H3
InChIKey
KUCKYONRKRINMO-UHFFFAOYSA-N
Compound name
ethyl 2-(3,5-dichloro-2-oxopyridin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.99594 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.00322 144.0
[M+Na]+ 271.98516 155.5
[M-H]- 247.98866 146.5
[M+NH4]+ 267.02976 162.0
[M+K]+ 287.95910 151.1
[M+H-H2O]+ 231.99320 139.4
[M+HCOO]- 293.99414 157.7
[M+CH3COO]- 308.00979 190.5
[M+Na-2H]- 269.97061 148.0
[M]+ 248.99539 150.7
[M]- 248.99649 150.7
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.