CID 17609441

2-amino-3-bromo-5-iodopyridine

Structural Information

Molecular Formula
C5H4BrIN2
SMILES
C1=C(C=NC(=C1Br)N)I
InChI
InChI=1S/C5H4BrIN2/c6-4-1-3(7)2-9-5(4)8/h1-2H,(H2,8,9)
InChIKey
OYZOHRSCEASBER-UHFFFAOYSA-N
Compound name
3-bromo-5-iodopyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

297.86026 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.86754 138.3
[M+Na]+ 320.84948 144.1
[M-H]- 296.85298 136.7
[M+NH4]+ 315.89408 155.1
[M+K]+ 336.82342 138.9
[M+H-H2O]+ 280.85752 134.2
[M+HCOO]- 342.85846 155.5
[M+CH3COO]- 356.87411 189.9
[M+Na-2H]- 318.83493 135.3
[M]+ 297.85971 151.5
[M]- 297.86081 151.5
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