CID 9837015

40758-65-4

Structural Information

Molecular Formula

C₆H₆Cl₂N₂O

SMILES

CCOC1=NC(=CC(=N1)Cl)Cl

InChI

InChI=1S/C6H6Cl2N2O/c1-2-11-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3

InChIKey

CVMAOIALLIBNNZ-UHFFFAOYSA-N

Compound name

4,6-dichloro-2-ethoxypyrimidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 50
Patents: 191.98572 Da
Monoisotopic Mass: 2.8
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]+	192.992996	131.9
[M+Na]+	214.974938	143.3
[M-H]-	190.978444	132.4
[M+NH4]+	210.019543	150.4
[M+K]+	230.948878	139.2
[M+H-H2O]+	174.982980	126.2
[M+HCOO]-	236.983921	145.0
[M+CH3COO]-	250.999571	180.6
[M+Na-2H]-	212.960386	139.1
[M]+	191.98517142	136.4
[M]-	191.98626858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe