CID 10633371

5-bromo-6-methyl-3-nitropyridin-2-ol

Structural Information

Molecular Formula
C6H5BrN2O3
SMILES
CC1=C(C=C(C(=O)N1)[N+](=O)[O-])Br
InChI
InChI=1S/C6H5BrN2O3/c1-3-4(7)2-5(9(11)12)6(10)8-3/h2H,1H3,(H,8,10)
InChIKey
OEBQKJOFOWLDME-UHFFFAOYSA-N
Compound name
5-bromo-6-methyl-3-nitro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

231.94835 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.95563 135.6
[M+Na]+ 254.93757 148.4
[M-H]- 230.94107 140.3
[M+NH4]+ 249.98217 154.9
[M+K]+ 270.91151 133.2
[M+H-H2O]+ 214.94561 139.5
[M+HCOO]- 276.94655 157.3
[M+CH3COO]- 290.96220 178.7
[M+Na-2H]- 252.92302 144.8
[M]+ 231.94780 153.0
[M]- 231.94890 153.0
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