CID 80464853

5-bromo-4-chloro-2-(1-methylcyclopropyl)pyrimidine

Structural Information

Molecular Formula
C8H8BrClN2
SMILES
CC1(CC1)C2=NC=C(C(=N2)Cl)Br
InChI
InChI=1S/C8H8BrClN2/c1-8(2-3-8)7-11-4-5(9)6(10)12-7/h4H,2-3H2,1H3
InChIKey
JIXMTYSKIMTABX-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-2-(1-methylcyclopropyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.95593 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.96321 142.5
[M+Na]+ 268.94515 158.4
[M-H]- 244.94865 150.4
[M+NH4]+ 263.98975 159.7
[M+K]+ 284.91909 146.1
[M+H-H2O]+ 228.95319 142.6
[M+HCOO]- 290.95413 158.7
[M+CH3COO]- 304.96978 157.7
[M+Na-2H]- 266.93060 151.6
[M]+ 245.95538 164.6
[M]- 245.95648 164.6
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.