CID 16218324

5-bromo-2-chloropyridine 1-oxide

Structural Information

Molecular Formula
C5H3BrClNO
SMILES
C1=CC(=[N+](C=C1Br)[O-])Cl
InChI
InChI=1S/C5H3BrClNO/c6-4-1-2-5(7)8(9)3-4/h1-3H
InChIKey
ZNOXDBXBFJQERJ-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

206.90865 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.91593 134.1
[M+Na]+ 229.89787 141.0
[M+NH4]+ 224.94247 140.2
[M+K]+ 245.87181 141.5
[M-H]- 205.90137 135.7
[M+Na-2H]- 227.88332 138.7
[M]+ 206.90810 134.7
[M]- 206.90920 134.7
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