CID 22138881

4,6-dichloro-5-(propan-2-yl)pyrimidine

Structural Information

Molecular Formula
C7H8Cl2N2
SMILES
CC(C)C1=C(N=CN=C1Cl)Cl
InChI
InChI=1S/C7H8Cl2N2/c1-4(2)5-6(8)10-3-11-7(5)9/h3-4H,1-2H3
InChIKey
WGEQNVJAKYNYTM-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-propan-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

190.00645 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.01373 133.2
[M+Na]+ 212.99567 144.0
[M-H]- 188.99917 133.7
[M+NH4]+ 208.04027 151.8
[M+K]+ 228.96961 139.6
[M+H-H2O]+ 173.00371 127.6
[M+HCOO]- 235.00465 144.9
[M+CH3COO]- 249.02030 182.5
[M+Na-2H]- 210.98112 138.8
[M]+ 190.00590 136.1
[M]- 190.00700 136.1
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

patents stripe