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

174
Patents

231.94835 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.955626 135.6
[M+Na]+ 254.937568 148.4
[M-H]- 230.941074 140.3
[M+NH4]+ 249.982173 154.9
[M+K]+ 270.911508 133.2
[M+H-H2O]+ 214.945610 139.5
[M+HCOO]- 276.946551 157.3
[M+CH3COO]- 290.962201 178.7
[M+Na-2H]- 252.923016 144.8
[M]+ 231.94780142 153.0
[M]- 231.94889858 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