CID 12231059

4,6-dichloro-2-(furan-3-yl)pyrimidine

Structural Information

Molecular Formula
C8H4Cl2N2O
SMILES
C1=COC=C1C2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C8H4Cl2N2O/c9-6-3-7(10)12-8(11-6)5-1-2-13-4-5/h1-4H
InChIKey
HURYOCMMOPMFDT-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(furan-3-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.97006 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.977336 139.3
[M+Na]+ 236.959278 151.2
[M-H]- 212.962784 143.7
[M+NH4]+ 232.003883 157.0
[M+K]+ 252.933218 147.1
[M+H-H2O]+ 196.967320 132.4
[M+HCOO]- 258.968261 152.8
[M+CH3COO]- 272.983911 153.1
[M+Na-2H]- 234.944726 145.5
[M]+ 213.96951142 143.5
[M]- 213.97060858 143.5
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

No patent data available for this compound.