CID 18458822

3-bromo-2-methyl-5-nitropyridine

Structural Information

Molecular Formula
C6H5BrN2O2
SMILES
CC1=C(C=C(C=N1)[N+](=O)[O-])Br
InChI
InChI=1S/C6H5BrN2O2/c1-4-6(7)2-5(3-8-4)9(10)11/h2-3H,1H3
InChIKey
QWAOQTGMEGSRLN-UHFFFAOYSA-N
Compound name
3-bromo-2-methyl-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

215.95345 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe