CID 71721386

5-bromo-2-chloro-4-nitropyridine 1-oxide

Structural Information

Molecular Formula
C5H2BrClN2O3
SMILES
C1=C(C(=C[N+](=C1Cl)[O-])Br)[N+](=O)[O-]
InChI
InChI=1S/C5H2BrClN2O3/c6-3-2-8(10)5(7)1-4(3)9(11)12/h1-2H
InChIKey
VNXKIYKPSUWDKP-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-4-nitro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.89372 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.90100 144.9
[M+Na]+ 274.88294 157.6
[M-H]- 250.88644 149.1
[M+NH4]+ 269.92754 163.3
[M+K]+ 290.85688 138.1
[M+H-H2O]+ 234.89098 154.0
[M+HCOO]- 296.89192 162.1
[M+CH3COO]- 310.90757 175.7
[M+Na-2H]- 272.86839 154.8
[M]+ 251.89317 162.5
[M]- 251.89427 162.5
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