CID 21584451

3-bromo-2-methoxy-5-nitropyridine

Structural Information

Molecular Formula
C6H5BrN2O3
SMILES
COC1=C(C=C(C=N1)[N+](=O)[O-])Br
InChI
InChI=1S/C6H5BrN2O3/c1-12-6-5(7)2-4(3-8-6)9(10)11/h2-3H,1H3
InChIKey
VRCSBPXFYAADHQ-UHFFFAOYSA-N
Compound name
3-bromo-2-methoxy-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

231.94835 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.95563 140.6
[M+Na]+ 254.93757 144.8
[M+NH4]+ 249.98217 144.8
[M+K]+ 270.91151 147.6
[M-H]- 230.94107 141.5
[M+Na-2H]- 252.92302 143.8
[M]+ 231.94780 140.1
[M]- 231.94890 140.1
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