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

102
Patents

217.9327 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.939976 131.3
[M+Na]+ 240.921918 143.7
[M-H]- 216.925424 135.9
[M+NH4]+ 235.966523 150.9
[M+K]+ 256.895858 128.9
[M+H-H2O]+ 200.929960 135.4
[M+HCOO]- 262.930901 153.5
[M+CH3COO]- 276.946551 174.8
[M+Na-2H]- 238.907366 141.7
[M]+ 217.93215142 148.1
[M]- 217.93324858 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