CID 20154047

6-fluoro-5-nitroisoquinoline

Structural Information

Molecular Formula

C₉H₅FN₂O₂

SMILES

C1=CC(=C(C2=C1C=NC=C2)[N+](=O)[O-])F

InChI

InChI=1S/C9H5FN2O2/c10-8-2-1-6-5-11-4-3-7(6)9(8)12(13)14/h1-5H

InChIKey

ZWEFZZDPYSVNLL-UHFFFAOYSA-N

Compound name

6-fluoro-5-nitroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 192.03351 Da
Monoisotopic Mass: 2.0
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]+	193.04079	131.7
[M+Na]+	215.02273	146.6
[M+NH4]+	210.06733	140.4
[M+K]+	230.99667	142.4
[M-H]-	191.02623	134.4
[M+Na-2H]-	213.00818	139.4
[M]+	192.03296	134.5
[M]-	192.03406	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe