CID 45117391

2,4-dibromo-5-methylpyrimidine

Structural Information

Molecular Formula
C5H4Br2N2
SMILES
CC1=CN=C(N=C1Br)Br
InChI
InChI=1S/C5H4Br2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3
InChIKey
LMFZLHUYHRZZON-UHFFFAOYSA-N
Compound name
2,4-dibromo-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

249.87411 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.881386 122.6
[M+Na]+ 272.863328 135.5
[M-H]- 248.866834 128.1
[M+NH4]+ 267.907933 141.9
[M+K]+ 288.837268 120.7
[M+H-H2O]+ 232.871370 131.1
[M+HCOO]- 294.872311 138.7
[M+CH3COO]- 308.887961 196.7
[M+Na-2H]- 270.848776 132.7
[M]+ 249.87356142 157.1
[M]- 249.87465858 157.1
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