CID 613279

3-bromo-2-hydroxy-5-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

91
Patents

217.9327 Da
Monoisotopic Mass

0.7
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

literature stripe

Patent stripe

patents stripe