CID 23125097

2,4-dichlorofuro[3,4-d]pyrimidin-7(5h)-one

Structural Information

Molecular Formula
C6H2Cl2N2O2
SMILES
C1C2=C(C(=O)O1)N=C(N=C2Cl)Cl
InChI
InChI=1S/C6H2Cl2N2O2/c7-4-2-1-12-5(11)3(2)9-6(8)10-4/h1H2
InChIKey
WOUKNUDUMXLPNO-UHFFFAOYSA-N
Compound name
2,4-dichloro-5H-furo[3,4-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

203.94933 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.95661 135.0
[M+Na]+ 226.93855 147.9
[M-H]- 202.94205 137.4
[M+NH4]+ 221.98315 154.5
[M+K]+ 242.91249 144.5
[M+H-H2O]+ 186.94659 129.6
[M+HCOO]- 248.94753 146.7
[M+CH3COO]- 262.96318 149.0
[M+Na-2H]- 224.92400 141.3
[M]+ 203.94878 139.3
[M]- 203.94988 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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