CID 2726465

5-(2,4-dichlorophenoxy)pyrimidin-2(1h)-one

Structural Information

Molecular Formula
C10H6Cl2N2O2
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=CNC(=O)N=C2
InChI
InChI=1S/C10H6Cl2N2O2/c11-6-1-2-9(8(12)3-6)16-7-4-13-10(15)14-5-7/h1-5H,(H,13,14,15)
InChIKey
PVOLMFSRQYBZTR-UHFFFAOYSA-N
Compound name
5-(2,4-dichlorophenoxy)-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

255.98064 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.987916 147.0
[M+Na]+ 278.969858 158.8
[M-H]- 254.973364 149.6
[M+NH4]+ 274.014463 162.0
[M+K]+ 294.943798 152.3
[M+H-H2O]+ 238.977900 140.0
[M+HCOO]- 300.978841 159.2
[M+CH3COO]- 314.994491 159.4
[M+Na-2H]- 276.955306 153.4
[M]+ 255.98009142 150.1
[M]- 255.98118858 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.