CID 53350372

5-bromo-4-methyl-2-nitropyridine

Structural Information

Molecular Formula
C6H5BrN2O2
SMILES
CC1=CC(=NC=C1Br)[N+](=O)[O-]
InChI
InChI=1S/C6H5BrN2O2/c1-4-2-6(9(10)11)8-3-5(4)7/h2-3H,1H3
InChIKey
OZAONQSRAXEGMW-UHFFFAOYSA-N
Compound name
5-bromo-4-methyl-2-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

215.95345 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe