CID 54595731

4,6-dichloro-2-cyclopropyl-5-methylpyrimidine

Structural Information

Molecular Formula
C8H8Cl2N2
SMILES
CC1=C(N=C(N=C1Cl)C2CC2)Cl
InChI
InChI=1S/C8H8Cl2N2/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3
InChIKey
AEKXEKPMZIZYLD-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-cyclopropyl-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

202.00645 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01373 139.8
[M+Na]+ 224.99567 152.3
[M-H]- 200.99917 143.8
[M+NH4]+ 220.04027 153.1
[M+K]+ 240.96961 146.5
[M+H-H2O]+ 185.00371 132.8
[M+HCOO]- 247.00465 152.7
[M+CH3COO]- 261.02030 152.4
[M+Na-2H]- 222.98112 144.9
[M]+ 202.00590 144.4
[M]- 202.00700 144.4
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.