CID 4913140

85386-94-3

Structural Information

Molecular Formula
C5H3ClFNO
SMILES
C1=CC(=C([N+](=C1)[O-])Cl)F
InChI
InChI=1S/C5H3ClFNO/c6-5-4(7)2-1-3-8(5)9/h1-3H
InChIKey
DPLJAKHIJWQGJM-UHFFFAOYSA-N
Compound name
2-chloro-3-fluoro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

146.98872 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.99600 120.8
[M+Na]+ 169.97794 131.7
[M-H]- 145.98144 120.9
[M+NH4]+ 165.02254 141.0
[M+K]+ 185.95188 123.8
[M+H-H2O]+ 129.98598 120.4
[M+HCOO]- 191.98692 139.0
[M+CH3COO]- 206.00257 163.1
[M+Na-2H]- 167.96339 129.9
[M]+ 146.98817 119.1
[M]- 146.98927 119.1
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