CID 7016327

101664-56-6

Structural Information

Molecular Formula

C₅H₂ClFN₂O₃

SMILES

C1=C[N+](=C(C(=C1[N+](=O)[O-])F)Cl)[O-]

InChI

InChI=1S/C5H2ClFN2O3/c6-5-4(7)3(9(11)12)1-2-8(5)10/h1-2H

InChIKey

IQKSCEDCDQGAAO-UHFFFAOYSA-N

Compound name

2-chloro-3-fluoro-4-nitro-1-oxidopyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 191.9738 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.98108	133.6
[M+Na]+	214.96302	143.3
[M-H]-	190.96652	133.8
[M+NH4]+	210.00762	150.5
[M+K]+	230.93696	131.8
[M+H-H2O]+	174.97106	137.3
[M+HCOO]-	236.97200	152.2
[M+CH3COO]-	250.98765	167.3
[M+Na-2H]-	212.94847	142.5
[M]+	191.97325	130.8
[M]-	191.97435	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe