CID 106470544

4-chloro-2-(chloromethyl)-5h,7h,8h-pyrano[4,3-d]pyrimidine

Structural Information

Molecular Formula
C8H8Cl2N2O
SMILES
C1COCC2=C1N=C(N=C2Cl)CCl
InChI
InChI=1S/C8H8Cl2N2O/c9-3-7-11-6-1-2-13-4-5(6)8(10)12-7/h1-4H2
InChIKey
FUWNEJOFAKLNLD-UHFFFAOYSA-N
Compound name
4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.00137 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00865 140.8
[M+Na]+ 240.99059 150.8
[M-H]- 216.99409 142.0
[M+NH4]+ 236.03519 157.7
[M+K]+ 256.96453 147.1
[M+H-H2O]+ 200.99863 134.3
[M+HCOO]- 262.99957 149.3
[M+CH3COO]- 277.01522 153.0
[M+Na-2H]- 238.97604 148.5
[M]+ 218.00082 142.7
[M]- 218.00192 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.