CID 21706517

5-bromo-2-hydroxy-4-methyl-3-nitropyridine

Structural Information

Molecular Formula
C6H5BrN2O3
SMILES
CC1=C(C(=O)NC=C1Br)[N+](=O)[O-]
InChI
InChI=1S/C6H5BrN2O3/c1-3-4(7)2-8-6(10)5(3)9(11)12/h2H,1H3,(H,8,10)
InChIKey
QXPNHVCGSASGIX-UHFFFAOYSA-N
Compound name
5-bromo-4-methyl-3-nitro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

231.94835 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

patents stripe