CID 60150238

4,6-dichloro-2-cyclobutylpyrimidine

Structural Information

Molecular Formula
C8H8Cl2N2
SMILES
C1CC(C1)C2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C8H8Cl2N2/c9-6-4-7(10)12-8(11-6)5-2-1-3-5/h4-5H,1-3H2
InChIKey
FEPXBNBIBVQUQC-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-cyclobutylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.00645 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01373 129.3
[M+Na]+ 224.99567 139.0
[M-H]- 200.99917 132.1
[M+NH4]+ 220.04027 141.1
[M+K]+ 240.96961 136.7
[M+H-H2O]+ 185.00371 118.1
[M+HCOO]- 247.00465 140.4
[M+CH3COO]- 261.02030 186.0
[M+Na-2H]- 222.98112 135.7
[M]+ 202.00590 139.0
[M]- 202.00700 139.0
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.