CID 12684326

Ethyl 4-chloropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
CCOC(=O)C1=CN=CN=C1Cl
InChI
InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-9-4-10-6(5)8/h3-4H,2H2,1H3
InChIKey
AZJAMMCCAZZXIK-UHFFFAOYSA-N
Compound name
ethyl 4-chloropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

186.0196 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02688 133.4
[M+Na]+ 209.00882 143.4
[M-H]- 185.01232 134.5
[M+NH4]+ 204.05342 151.5
[M+K]+ 224.98276 140.7
[M+H-H2O]+ 169.01686 126.9
[M+HCOO]- 231.01780 151.0
[M+CH3COO]- 245.03345 179.0
[M+Na-2H]- 206.99427 140.5
[M]+ 186.01905 137.3
[M]- 186.02015 137.3
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

patents stripe