CID 123084

3-fluoropyridine 1-oxide

Structural Information

Molecular Formula
C5H4FNO
SMILES
C1=CC(=C[N+](=C1)[O-])F
InChI
InChI=1S/C5H4FNO/c6-5-2-1-3-7(8)4-5/h1-4H
InChIKey
QVGBDRDOWKIYHK-UHFFFAOYSA-N
Compound name
3-fluoro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

325
Patents

113.027695 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.034971 115.2
[M+Na]+ 136.016913 124.8
[M-H]- 112.020419 115.5
[M+NH4]+ 131.061518 135.9
[M+K]+ 151.990853 118.7
[M+H-H2O]+ 96.024955 113.9
[M+HCOO]- 158.025896 138.2
[M+CH3COO]- 172.041546 158.1
[M+Na-2H]- 134.002361 125.7
[M]+ 113.02714642 111.3
[M]- 113.02824358 111.3
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