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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.024286 146.5
[M+Na]+ 255.006228 154.9
[M-H]- 231.009734 149.6
[M+NH4]+ 250.050833 161.4
[M+K]+ 270.980168 151.1
[M+H-H2O]+ 215.014270 138.8
[M+HCOO]- 277.015211 154.7
[M+CH3COO]- 291.030861 157.9
[M+Na-2H]- 252.991676 151.9
[M]+ 232.01646142 146.1
[M]- 232.01755858 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe