CID 16218324

889865-43-4

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

44
Patents

206.90865 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.915926 130.4
[M+Na]+ 229.897868 144.6
[M-H]- 205.901374 134.7
[M+NH4]+ 224.942473 152.1
[M+K]+ 245.871808 128.4
[M+H-H2O]+ 189.905910 136.5
[M+HCOO]- 251.906851 147.5
[M+CH3COO]- 265.922501 171.8
[M+Na-2H]- 227.883316 141.0
[M]+ 206.90810142 149.1
[M]- 206.90919858 149.1
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