CID 155822331

2-chloro-5-(dimethylphosphoryl)pyrimidine

Structural Information

Molecular Formula
C6H8ClN2OP
SMILES
CP(=O)(C)C1=CN=C(N=C1)Cl
InChI
InChI=1S/C6H8ClN2OP/c1-11(2,10)5-3-8-6(7)9-4-5/h3-4H,1-2H3
InChIKey
AANBIBIOBBXKEK-UHFFFAOYSA-N
Compound name
2-chloro-5-dimethylphosphorylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.00627 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.01355 136.5
[M+Na]+ 212.99549 146.9
[M-H]- 188.99899 136.8
[M+NH4]+ 208.04009 155.2
[M+K]+ 228.96943 143.9
[M+H-H2O]+ 173.00353 128.3
[M+HCOO]- 235.00447 158.6
[M+CH3COO]- 249.02012 181.1
[M+Na-2H]- 210.98094 141.9
[M]+ 190.00572 140.0
[M]- 190.00682 140.0
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

No patent data available for this compound.