CID 59198373

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

Structural Information

Molecular Formula
C9H10Cl2N2O
SMILES
C1COCCC1C2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C9H10Cl2N2O/c10-7-5-8(11)13-9(12-7)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKey
DJHXCPYJRXZMID-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(oxan-4-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

232.01701 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02429 146.5
[M+Na]+ 255.00623 154.9
[M-H]- 231.00973 149.6
[M+NH4]+ 250.05083 161.4
[M+K]+ 270.98017 151.1
[M+H-H2O]+ 215.01427 138.8
[M+HCOO]- 277.01521 154.7
[M+CH3COO]- 291.03086 157.9
[M+Na-2H]- 252.99168 151.9
[M]+ 232.01646 146.1
[M]- 232.01756 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