CID 80464994

4,6-dichloro-2-(1-methylcyclopropyl)pyrimidine

Structural Information

Molecular Formula
C8H8Cl2N2
SMILES
CC1(CC1)C2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C8H8Cl2N2/c1-8(2-3-8)7-11-5(9)4-6(10)12-7/h4H,2-3H2,1H3
InChIKey
INPBLHRJHIDGFA-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(1-methylcyclopropyl)pyrimidine
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 139.0
[M+Na]+ 224.99567 151.3
[M-H]- 200.99917 143.1
[M+NH4]+ 220.04027 153.9
[M+K]+ 240.96961 146.5
[M+H-H2O]+ 185.00371 132.7
[M+HCOO]- 247.00465 151.8
[M+CH3COO]- 261.02030 151.8
[M+Na-2H]- 222.98112 145.9
[M]+ 202.00590 143.6
[M]- 202.00700 143.6
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.