CID 118113418

1554387-36-8

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
C1COC(O1)C2=CN=C(N=C2)Cl
InChI
InChI=1S/C7H7ClN2O2/c8-7-9-3-5(4-10-7)6-11-1-2-12-6/h3-4,6H,1-2H2
InChIKey
KMDYWQRBLQTNDO-UHFFFAOYSA-N
Compound name
2-chloro-5-(1,3-dioxolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

186.0196 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.026876 134.9
[M+Na]+ 209.008818 144.0
[M-H]- 185.012324 139.9
[M+NH4]+ 204.053423 151.6
[M+K]+ 224.982758 143.4
[M+H-H2O]+ 169.016860 127.7
[M+HCOO]- 231.017801 150.5
[M+CH3COO]- 245.033451 148.5
[M+Na-2H]- 206.994266 141.9
[M]+ 186.01905142 136.6
[M]- 186.02014858 136.6
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