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: 137
Patents: 235.97554 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.982816	139.4
[M+Na]+	258.964758	151.3
[M-H]-	234.968264	140.7
[M+NH4]+	254.009363	156.4
[M+K]+	274.938698	148.0
[M+H-H2O]+	218.972800	134.0
[M+HCOO]-	280.973741	152.2
[M+CH3COO]-	294.989391	188.1
[M+Na-2H]-	256.950206	144.5
[M]+	235.97499142	146.4
[M]-	235.97608858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe