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

25
Patents

186.0196 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02688 134.9
[M+Na]+ 209.00882 144.0
[M-H]- 185.01232 139.9
[M+NH4]+ 204.05342 151.6
[M+K]+ 224.98276 143.4
[M+H-H2O]+ 169.01686 127.7
[M+HCOO]- 231.01780 150.5
[M+CH3COO]- 245.03345 148.5
[M+Na-2H]- 206.99427 141.9
[M]+ 186.01905 136.6
[M]- 186.02015 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