CID 12510054

3-bromo-4-methyl-5-nitropyridine

Structural Information

Molecular Formula
C6H5BrN2O2
SMILES
CC1=C(C=NC=C1[N+](=O)[O-])Br
InChI
InChI=1S/C6H5BrN2O2/c1-4-5(7)2-8-3-6(4)9(10)11/h2-3H,1H3
InChIKey
WFCIQRPATFRBOY-UHFFFAOYSA-N
Compound name
3-bromo-4-methyl-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

215.95345 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96073 137.2
[M+Na]+ 238.94267 141.9
[M+NH4]+ 233.98727 142.0
[M+K]+ 254.91661 144.3
[M-H]- 214.94617 138.6
[M+Na-2H]- 236.92812 141.0
[M]+ 215.95290 137.0
[M]- 215.95400 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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