CID 53421329

Methyl 4,6-dichloropyrimidine-2-carboxylate

Structural Information

Molecular Formula
C6H4Cl2N2O2
SMILES
COC(=O)C1=NC(=CC(=N1)Cl)Cl
InChI
InChI=1S/C6H4Cl2N2O2/c1-12-6(11)5-9-3(7)2-4(8)10-5/h2H,1H3
InChIKey
PQIIRUIULSNZCL-UHFFFAOYSA-N
Compound name
methyl 4,6-dichloropyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

205.96498 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.97226 135.3
[M+Na]+ 228.95420 150.2
[M+NH4]+ 223.99880 143.1
[M+K]+ 244.92814 144.0
[M-H]- 204.95770 135.6
[M+Na-2H]- 226.93965 142.2
[M]+ 205.96443 138.0
[M]- 205.96553 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe