CID 55265482

1033202-51-5

Structural Information

Molecular Formula

C₆H₂FN₃O₂

SMILES

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

InChI

InChI=1S/C6H2FN3O2/c7-4-1-6(10(11)12)5(2-8)9-3-4/h1,3H

InChIKey

MRYPOWLVSCEADY-UHFFFAOYSA-N

Compound name

5-fluoro-3-nitropyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 167.0131 Da
Monoisotopic Mass: 0.8
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]+	168.02038	130.3
[M+Na]+	190.00232	140.8
[M-H]-	166.00582	131.3
[M+NH4]+	185.04692	146.7
[M+K]+	205.97626	135.3
[M+H-H2O]+	150.01036	120.7
[M+HCOO]-	212.01130	150.7
[M+CH3COO]-	226.02695	185.6
[M+Na-2H]-	187.98777	138.1
[M]+	167.01255	122.9
[M]-	167.01365	122.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe