CID 55270783

2,4-dichloro-5-cyclopropylpyrimidine

Structural Information

Molecular Formula
C7H6Cl2N2
SMILES
C1CC1C2=CN=C(N=C2Cl)Cl
InChI
InChI=1S/C7H6Cl2N2/c8-6-5(4-1-2-4)3-10-7(9)11-6/h3-4H,1-2H2
InChIKey
KKSKKVUKDFJQMS-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-cyclopropylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

187.9908 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99808 133.8
[M+Na]+ 210.98002 150.8
[M+NH4]+ 206.02462 143.8
[M+K]+ 226.95396 144.3
[M-H]- 186.98352 143.2
[M+Na-2H]- 208.96547 145.1
[M]+ 187.99025 140.6
[M]- 187.99135 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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