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

116
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 134.0
[M+Na]+ 238.94267 146.4
[M-H]- 214.94617 139.8
[M+NH4]+ 233.98727 154.6
[M+K]+ 254.91661 132.4
[M+H-H2O]+ 198.95071 138.0
[M+HCOO]- 260.95165 156.9
[M+CH3COO]- 274.96730 179.3
[M+Na-2H]- 236.92812 144.2
[M]+ 215.95290 152.3
[M]- 215.95400 152.3
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

patents stripe