CID 84025638

Methyl 2,5-dichloropyrimidine-4-carboxylate

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O₂

SMILES

COC(=O)C1=NC(=NC=C1Cl)Cl

InChI

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

InChIKey

MUJBXSCSNLVZNS-UHFFFAOYSA-N

Compound name

methyl 2,5-dichloropyrimidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 205.96498 Da
Monoisotopic Mass: 2.0
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	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe