CID 276223

3,5-dichloropyridin-1-ium-1-olate

Structural Information

Molecular Formula
C5H3Cl2NO
SMILES
C1=C(C=[N+](C=C1Cl)[O-])Cl
InChI
InChI=1S/C5H3Cl2NO/c6-4-1-5(7)3-8(9)2-4/h1-3H
InChIKey
RODXBOIDZPQDBH-UHFFFAOYSA-N
Compound name
3,5-dichloro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

147
Patents

162.95917 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.96645 125.8
[M+Na]+ 185.94839 136.5
[M-H]- 161.95189 126.2
[M+NH4]+ 180.99299 145.6
[M+K]+ 201.92233 128.0
[M+H-H2O]+ 145.95643 126.9
[M+HCOO]- 207.95737 139.7
[M+CH3COO]- 221.97302 165.6
[M+Na-2H]- 183.93384 134.3
[M]+ 162.95862 126.0
[M]- 162.95972 126.0
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.