CID 137935889

3-amino-2,5-dibromopyridin-4-ol

Structural Information

Molecular Formula
C5H4Br2N2O
SMILES
C1=C(C(=O)C(=C(N1)Br)N)Br
InChI
InChI=1S/C5H4Br2N2O/c6-2-1-9-5(7)3(8)4(2)10/h1H,8H2,(H,9,10)
InChIKey
QBTKMASLHGXXFO-UHFFFAOYSA-N
Compound name
3-amino-2,5-dibromo-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.86905 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.876326 129.0
[M+Na]+ 288.858268 140.9
[M-H]- 264.861774 133.8
[M+NH4]+ 283.902873 147.3
[M+K]+ 304.832208 124.3
[M+H-H2O]+ 248.866310 136.2
[M+HCOO]- 310.867251 144.8
[M+CH3COO]- 324.882901 197.6
[M+Na-2H]- 286.843716 136.6
[M]+ 265.86850142 160.5
[M]- 265.86959858 160.5
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

No patent data available for this compound.