CID 564873

2,6-dibromopyridine n-oxide

Structural Information

Molecular Formula
C5H3Br2NO
SMILES
C1=CC(=[N+](C(=C1)Br)[O-])Br
InChI
InChI=1S/C5H3Br2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H
InChIKey
YOJAFCXACCYASM-UHFFFAOYSA-N
Compound name
2,6-dibromo-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

250.85814 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.86542 132.3
[M+Na]+ 273.84736 144.7
[M-H]- 249.85086 137.9
[M+NH4]+ 268.89196 151.8
[M+K]+ 289.82130 126.4
[M+H-H2O]+ 233.85540 144.6
[M+HCOO]- 295.85634 148.7
[M+CH3COO]- 309.87199 188.8
[M+Na-2H]- 271.83281 142.4
[M]+ 250.85759 165.9
[M]- 250.85869 165.9
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.