CID 88846742

4,6-dibromo-2-methylpyrimidine

Structural Information

Molecular Formula
C5H4Br2N2
SMILES
CC1=NC(=CC(=N1)Br)Br
InChI
InChI=1S/C5H4Br2N2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3
InChIKey
LOEAKCMWVIKQLN-UHFFFAOYSA-N
Compound name
4,6-dibromo-2-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.87411 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.88139 122.6
[M+Na]+ 272.86333 135.5
[M-H]- 248.86683 128.1
[M+NH4]+ 267.90793 141.9
[M+K]+ 288.83727 120.7
[M+H-H2O]+ 232.87137 131.1
[M+HCOO]- 294.87231 138.7
[M+CH3COO]- 308.88796 196.7
[M+Na-2H]- 270.84878 132.7
[M]+ 249.87356 157.1
[M]- 249.87466 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