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

65
Patents

219.98064 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.98792 142.1
[M+Na]+ 242.96986 152.2
[M-H]- 218.97336 146.5
[M+NH4]+ 238.01446 158.0
[M+K]+ 258.94380 150.2
[M+H-H2O]+ 202.97790 135.2
[M+HCOO]- 264.97884 152.2
[M+CH3COO]- 278.99449 155.0
[M+Na-2H]- 240.95531 147.3
[M]+ 219.98009 144.9
[M]- 219.98119 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