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

2
Patents

231.94029 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.947566 139.9
[M+Na]+ 254.929508 155.6
[M-H]- 230.933014 147.5
[M+NH4]+ 249.974113 155.7
[M+K]+ 270.903448 142.5
[M+H-H2O]+ 214.937550 139.0
[M+HCOO]- 276.938491 156.5
[M+CH3COO]- 290.954141 155.0
[M+Na-2H]- 252.914956 148.4
[M]+ 231.93974142 161.0
[M]- 231.94083858 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