CID 44754894

5,6-dibromopyridin-3-amine

Structural Information

Molecular Formula
C5H4Br2N2
SMILES
C1=C(C=NC(=C1Br)Br)N
InChI
InChI=1S/C5H4Br2N2/c6-4-1-3(8)2-9-5(4)7/h1-2H,8H2
InChIKey
NAAJNKAJCAUMJS-UHFFFAOYSA-N
Compound name
5,6-dibromopyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

249.87411 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe