CID 11514203

Methyl 2,6-dichloro-5-methoxypyrimidine-4-carboxylate

Structural Information

Molecular Formula
C7H6Cl2N2O3
SMILES
COC1=C(N=C(N=C1Cl)Cl)C(=O)OC
InChI
InChI=1S/C7H6Cl2N2O3/c1-13-4-3(6(12)14-2)10-7(9)11-5(4)8/h1-2H3
InChIKey
WPKWCOJJOVQDPB-UHFFFAOYSA-N
Compound name
methyl 2,6-dichloro-5-methoxypyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

235.97554 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.98282 139.4
[M+Na]+ 258.96476 151.3
[M-H]- 234.96826 140.7
[M+NH4]+ 254.00936 156.4
[M+K]+ 274.93870 148.0
[M+H-H2O]+ 218.97280 134.0
[M+HCOO]- 280.97374 152.2
[M+CH3COO]- 294.98939 188.1
[M+Na-2H]- 256.95021 144.5
[M]+ 235.97499 146.4
[M]- 235.97609 146.4
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