CID 117685269

2,4-dichloro-6-(tetrahydro-2h-pyran-4-yl)pyrimidine

Structural Information

Molecular Formula

C₉H₁₀Cl₂N₂O

SMILES

C1COCCC1C2=CC(=NC(=N2)Cl)Cl

InChI

InChI=1S/C9H10Cl2N2O/c10-8-5-7(12-9(11)13-8)6-1-3-14-4-2-6/h5-6H,1-4H2

InChIKey

XEABGXMPIACJHJ-UHFFFAOYSA-N

Compound name

2,4-dichloro-6-(oxan-4-yl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 232.01701 Da
Monoisotopic Mass: 2.6
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]+	233.02429	146.2
[M+Na]+	255.00623	161.8
[M+NH4]+	250.05083	155.4
[M+K]+	270.98017	153.9
[M-H]-	231.00973	150.8
[M+Na-2H]-	252.99168	154.1
[M]+	232.01646	150.4
[M]-	232.01756	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe