CID 59594440

4,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine

Structural Information

Molecular Formula
C7H6Cl2N2O2
SMILES
C1COC(O1)C2=C(N=CN=C2Cl)Cl
InChI
InChI=1S/C7H6Cl2N2O2/c8-5-4(6(9)11-3-10-5)7-12-1-2-13-7/h3,7H,1-2H2
InChIKey
MPLBVCHILXNXBJ-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-(1,3-dioxolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

219.98064 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.987916 142.1
[M+Na]+ 242.969858 152.2
[M-H]- 218.973364 146.5
[M+NH4]+ 238.014463 158.0
[M+K]+ 258.943798 150.2
[M+H-H2O]+ 202.977900 135.2
[M+HCOO]- 264.978841 152.2
[M+CH3COO]- 278.994491 155.0
[M+Na-2H]- 240.955306 147.3
[M]+ 219.98009142 144.9
[M]- 219.98118858 144.9
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