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

95
Patents

231.94835 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.955626 136.7
[M+Na]+ 254.937568 148.8
[M-H]- 230.941074 142.4
[M+NH4]+ 249.982173 156.5
[M+K]+ 270.911508 135.3
[M+H-H2O]+ 214.945610 140.3
[M+HCOO]- 276.946551 159.7
[M+CH3COO]- 290.962201 181.2
[M+Na-2H]- 252.923016 147.0
[M]+ 231.94780142 156.2
[M]- 231.94889858 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