CID 12440902

1850-98-2

Structural Information

Molecular Formula
C7H8Cl2N2
SMILES
CC(C)C1=NC(=CC(=N1)Cl)Cl
InChI
InChI=1S/C7H8Cl2N2/c1-4(2)7-10-5(8)3-6(9)11-7/h3-4H,1-2H3
InChIKey
GZRKQOQFSXBYTB-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-propan-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
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

literature stripe

Patent stripe

patents stripe