CID 619792

4-amino-3,5-dibromopyridine

Structural Information

Molecular Formula
C5H4Br2N2
SMILES
C1=C(C(=C(C=N1)Br)N)Br
InChI
InChI=1S/C5H4Br2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
InChIKey
MNRBVTDLMUNVLD-UHFFFAOYSA-N
Compound name
3,5-dibromopyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

249.87411 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.88139 127.3
[M+Na]+ 272.86333 139.0
[M-H]- 248.86683 133.0
[M+NH4]+ 267.90793 146.7
[M+K]+ 288.83727 123.3
[M+H-H2O]+ 232.87137 134.7
[M+HCOO]- 294.87231 144.2
[M+CH3COO]- 308.88796 197.6
[M+Na-2H]- 270.84878 136.0
[M]+ 249.87356 159.6
[M]- 249.87466 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe