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

52
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 130.4
[M+Na]+ 229.89787 144.6
[M-H]- 205.90137 134.7
[M+NH4]+ 224.94247 152.1
[M+K]+ 245.87181 128.4
[M+H-H2O]+ 189.90591 136.5
[M+HCOO]- 251.90685 147.5
[M+CH3COO]- 265.92250 171.8
[M+Na-2H]- 227.88332 141.0
[M]+ 206.90810 149.1
[M]- 206.90920 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