CID 594028

3-fluoro-4-nitropyridin-1-ium-1-olate

Structural Information

Molecular Formula
C5H3FN2O3
SMILES
C1=C[N+](=CC(=C1[N+](=O)[O-])F)[O-]
InChI
InChI=1S/C5H3FN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H
InChIKey
QHWIGULJOZAPAQ-UHFFFAOYSA-N
Compound name
3-fluoro-4-nitro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

158.01277 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.020046 127.1
[M+Na]+ 181.001988 136.0
[M-H]- 157.005494 127.8
[M+NH4]+ 176.046593 144.6
[M+K]+ 196.975928 125.9
[M+H-H2O]+ 141.010030 129.8
[M+HCOO]- 203.010971 150.4
[M+CH3COO]- 217.026621 162.4
[M+Na-2H]- 178.987436 137.5
[M]+ 158.01222142 122.3
[M]- 158.01331858 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe