CID 24903814

5-bromo-4-chloro-2-cyclopropylpyrimidine

Structural Information

Molecular Formula
C7H6BrClN2
SMILES
C1CC1C2=NC=C(C(=N2)Cl)Br
InChI
InChI=1S/C7H6BrClN2/c8-5-3-10-7(4-1-2-4)11-6(5)9/h3-4H,1-2H2
InChIKey
WZGWKODQKGFMRI-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-2-cyclopropylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

231.94029 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.94757 139.9
[M+Na]+ 254.92951 155.6
[M-H]- 230.93301 147.5
[M+NH4]+ 249.97411 155.7
[M+K]+ 270.90345 142.5
[M+H-H2O]+ 214.93755 139.0
[M+HCOO]- 276.93849 156.5
[M+CH3COO]- 290.95414 155.0
[M+Na-2H]- 252.91496 148.4
[M]+ 231.93974 161.0
[M]- 231.94084 161.0
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