CID 1904593

3-bromo-4-hydroxy-5-nitropyridine

Structural Information

Molecular Formula
C5H3BrN2O3
SMILES
C1=C(C(=O)C(=CN1)Br)[N+](=O)[O-]
InChI
InChI=1S/C5H3BrN2O3/c6-3-1-7-2-4(5(3)9)8(10)11/h1-2H,(H,7,9)
InChIKey
IIIJPRRVYYWKQW-UHFFFAOYSA-N
Compound name
3-bromo-5-nitro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

217.9327 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.93998 131.3
[M+Na]+ 240.92192 143.7
[M-H]- 216.92542 135.9
[M+NH4]+ 235.96652 150.9
[M+K]+ 256.89586 128.9
[M+H-H2O]+ 200.92996 135.4
[M+HCOO]- 262.93090 153.5
[M+CH3COO]- 276.94655 174.8
[M+Na-2H]- 238.90737 141.7
[M]+ 217.93215 148.1
[M]- 217.93325 148.1
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