CID 66294688

5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine

Structural Information

Molecular Formula
C8H8BrClN2
SMILES
CC1CC1C2=NC=C(C(=N2)Cl)Br
InChI
InChI=1S/C8H8BrClN2/c1-4-2-5(4)8-11-3-6(9)7(10)12-8/h3-5H,2H2,1H3
InChIKey
APDAJKZGBUWGQA-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.95593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.96321 144.0
[M+Na]+ 268.94515 160.1
[M-H]- 244.94865 151.7
[M+NH4]+ 263.98975 159.6
[M+K]+ 284.91909 146.6
[M+H-H2O]+ 228.95319 143.1
[M+HCOO]- 290.95413 160.3
[M+CH3COO]- 304.96978 159.0
[M+Na-2H]- 266.93060 151.3
[M]+ 245.95538 165.8
[M]- 245.95648 165.8
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

No patent data available for this compound.