CID 21075867

669066-35-7

Structural Information

Molecular Formula

SMILES

C1=CN=C(C(=C1I)F)C#N

InChI

InChI=1S/C6H2FIN2/c7-6-4(8)1-2-10-5(6)3-9/h1-2H

InChIKey

CLBCNDXLHUIEBW-UHFFFAOYSA-N

Compound name

3-fluoro-4-iodopyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 247.92467 Da
Monoisotopic Mass: 1.7
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]+	248.93195	127.8
[M+Na]+	270.91389	133.0
[M-H]-	246.91739	122.8
[M+NH4]+	265.95849	141.8
[M+K]+	286.88783	135.6
[M+H-H2O]+	230.92193	111.9
[M+HCOO]-	292.92287	142.8
[M+CH3COO]-	306.93852	194.7
[M+Na-2H]-	268.89934	124.2
[M]+	247.92412	119.9
[M]-	247.92522	119.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe