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]+ 266.87633 129.0
[M+Na]+ 288.85827 140.9
[M-H]- 264.86177 133.8
[M+NH4]+ 283.90287 147.3
[M+K]+ 304.83221 124.3
[M+H-H2O]+ 248.86631 136.2
[M+HCOO]- 310.86725 144.8
[M+CH3COO]- 324.88290 197.6
[M+Na-2H]- 286.84372 136.6
[M]+ 265.86850 160.5
[M]- 265.86960 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.