CID 12692873

2-bromo-3-methoxy-6-nitropyridine

Structural Information

Molecular Formula
C6H5BrN2O3
SMILES
COC1=C(N=C(C=C1)[N+](=O)[O-])Br
InChI
InChI=1S/C6H5BrN2O3/c1-12-4-2-3-5(9(10)11)8-6(4)7/h2-3H,1H3
InChIKey
ZKEAOLVGPKCNCT-UHFFFAOYSA-N
Compound name
2-bromo-3-methoxy-6-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

231.94835 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.95563 136.7
[M+Na]+ 254.93757 148.8
[M-H]- 230.94107 142.4
[M+NH4]+ 249.98217 156.5
[M+K]+ 270.91151 135.3
[M+H-H2O]+ 214.94561 140.3
[M+HCOO]- 276.94655 159.7
[M+CH3COO]- 290.96220 181.2
[M+Na-2H]- 252.92302 147.0
[M]+ 231.94780 156.2
[M]- 231.94890 156.2
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