CID 9837015

2-ethoxy-4,6-dichloropyrimidine

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

1
Annotation Hits: 0
References: 33
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]+	192.99300	133.2
[M+Na]+	214.97494	148.8
[M+NH4]+	210.01954	142.0
[M+K]+	230.94888	141.4
[M-H]-	190.97844	134.5
[M+Na-2H]-	212.96039	141.1
[M]+	191.98517	136.4
[M]-	191.98627	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe