CID 22309085

2,4-dichloro-6-cyclopropylpyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

187.9908 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.998076 135.6
[M+Na]+ 210.980018 147.7
[M-H]- 186.983524 139.4
[M+NH4]+ 206.024623 149.1
[M+K]+ 226.953958 142.1
[M+H-H2O]+ 170.988060 128.5
[M+HCOO]- 232.989001 148.9
[M+CH3COO]- 247.004651 148.3
[M+Na-2H]- 208.965466 142.0
[M]+ 187.99025142 139.5
[M]- 187.99134858 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