CID 239689

Methyl 2,4-dichloropyrimidine-6-carboxylate

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O₂

SMILES

COC(=O)C1=CC(=NC(=N1)Cl)Cl

InChI

InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-4(7)10-6(8)9-3/h2H,1H3

InChIKey

DQNQNLWKAGZNIT-UHFFFAOYSA-N

Compound name

methyl 2,6-dichloropyrimidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 957
Patents: 205.96498 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]+	206.97226	132.9
[M+Na]+	228.95420	144.4
[M-H]-	204.95770	133.9
[M+NH4]+	223.99880	150.9
[M+K]+	244.92814	140.8
[M+H-H2O]+	188.96224	127.5
[M+HCOO]-	250.96318	145.7
[M+CH3COO]-	264.97883	181.9
[M+Na-2H]-	226.93965	139.1
[M]+	205.96443	137.6
[M]-	205.96553	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe