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

25
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

literature stripe

Patent stripe

patents stripe