CID 1201466

3,5-dibromo-2-nitropyridine

Structural Information

Molecular Formula
C5H2Br2N2O2
SMILES
C1=C(C=NC(=C1Br)[N+](=O)[O-])Br
InChI
InChI=1S/C5H2Br2N2O2/c6-3-1-4(7)5(8-2-3)9(10)11/h1-2H
InChIKey
KVHYCCSVMBUDPH-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.8483 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.85558 136.3
[M+Na]+ 302.83752 147.8
[M-H]- 278.84102 142.6
[M+NH4]+ 297.88212 154.6
[M+K]+ 318.81146 129.7
[M+H-H2O]+ 262.84556 147.1
[M+HCOO]- 324.84650 153.8
[M+CH3COO]- 338.86215 195.6
[M+Na-2H]- 300.82297 145.9
[M]+ 279.84775 170.3
[M]- 279.84885 170.3
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

No patent data available for this compound.