CID 24903687

4,6-dichloro-2-cyclopropylpyrimidine

Structural Information

Molecular Formula
C7H6Cl2N2
SMILES
C1CC1C2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C7H6Cl2N2/c8-5-3-6(9)11-7(10-5)4-1-2-4/h3-4H,1-2H2
InChIKey
YBOWZANEONZCOL-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-cyclopropylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

187.9908 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99808 135.6
[M+Na]+ 210.98002 147.7
[M-H]- 186.98352 139.4
[M+NH4]+ 206.02462 149.1
[M+K]+ 226.95396 142.1
[M+H-H2O]+ 170.98806 128.5
[M+HCOO]- 232.98900 148.9
[M+CH3COO]- 247.00465 148.3
[M+Na-2H]- 208.96547 142.0
[M]+ 187.99025 139.5
[M]- 187.99135 139.5
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