CID 2778928

2-fluoro-5-iodobenzonitrile

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C7H3FIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H

InChIKey

BIZHQRAAZMDWNK-UHFFFAOYSA-N

Compound name

2-fluoro-5-iodobenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 295
Patents: 246.92941 Da
Monoisotopic Mass: 2.4
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]+	247.93669	131.1
[M+Na]+	269.91863	136.3
[M-H]-	245.92213	127.6
[M+NH4]+	264.96323	146.4
[M+K]+	285.89257	138.4
[M+H-H2O]+	229.92667	116.1
[M+HCOO]-	291.92761	147.0
[M+CH3COO]-	305.94326	195.1
[M+Na-2H]-	267.90408	126.8
[M]+	246.92886	123.2
[M]-	246.92996	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe