CID 44630668

2,4-dichlorofuro[2,3-d]pyrimidine

Structural Information

Molecular Formula
C6H2Cl2N2O
SMILES
C1=COC2=C1C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C6H2Cl2N2O/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H
InChIKey
RJHMENBSHWUDOO-UHFFFAOYSA-N
Compound name
2,4-dichlorofuro[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

187.95442 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.961696 129.9
[M+Na]+ 210.943638 143.9
[M-H]- 186.947144 132.6
[M+NH4]+ 205.988243 150.2
[M+K]+ 226.917578 140.1
[M+H-H2O]+ 170.951680 124.3
[M+HCOO]- 232.952621 144.0
[M+CH3COO]- 246.968271 144.8
[M+Na-2H]- 208.929086 138.9
[M]+ 187.95387142 136.1
[M]- 187.95496858 136.1
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