CID 119006336

3-bromo-4-iodopyridin-2-amine

Structural Information

Molecular Formula
C5H4BrIN2
SMILES
C1=CN=C(C(=C1I)Br)N
InChI
InChI=1S/C5H4BrIN2/c6-4-3(7)1-2-9-5(4)8/h1-2H,(H2,8,9)
InChIKey
PTLAUGDEHSXMDE-UHFFFAOYSA-N
Compound name
3-bromo-4-iodopyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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

No literature data available for this compound.

Patent stripe

patents stripe