CID 216818

Brn 0435066

Structural Information

Molecular Formula
C14H10Cl2N2O4
SMILES
C1=C(C=NC=C1Cl)C(=O)OCCOC(=O)C2=CC(=CN=C2)Cl
InChI
InChI=1S/C14H10Cl2N2O4/c15-11-3-9(5-17-7-11)13(19)21-1-2-22-14(20)10-4-12(16)8-18-6-10/h3-8H,1-2H2
InChIKey
HBHZENFQYVZGEM-UHFFFAOYSA-N
Compound name
2-(5-chloropyridine-3-carbonyl)oxyethyl 5-chloropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.00177 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.00905 167.1
[M+Na]+ 362.99099 176.3
[M-H]- 338.99449 170.7
[M+NH4]+ 358.03559 178.9
[M+K]+ 378.96493 171.5
[M+H-H2O]+ 322.99903 158.9
[M+HCOO]- 384.99997 178.4
[M+CH3COO]- 399.01562 204.6
[M+Na-2H]- 360.97644 170.7
[M]+ 340.00122 174.1
[M]- 340.00232 174.1
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.