CID 71425174

919354-52-2

Structural Information

Molecular Formula
C9H6Cl2N2O2
SMILES
CCOC(=O)C1=C(N=C(C(=C1)C#N)Cl)Cl
InChI
InChI=1S/C9H6Cl2N2O2/c1-2-15-9(14)6-3-5(4-12)7(10)13-8(6)11/h3H,2H2,1H3
InChIKey
UDWGETXHCFVFDI-UHFFFAOYSA-N
Compound name
ethyl 2,6-dichloro-5-cyanopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

243.98064 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98792 144.4
[M+Na]+ 266.96986 157.3
[M-H]- 242.97336 146.4
[M+NH4]+ 262.01446 160.6
[M+K]+ 282.94380 152.3
[M+H-H2O]+ 226.97790 133.3
[M+HCOO]- 288.97884 155.2
[M+CH3COO]- 302.99449 201.6
[M+Na-2H]- 264.95531 148.1
[M]+ 243.98009 144.7
[M]- 243.98119 144.7
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

patents stripe