CID 129630591

Ficin

Structural Information

Molecular Formula

SMILES

C(=IF)I=N

InChI

InChI=1S/CH2FI2N/c2-3-1-4-5/h1,5H

InChIKey

POTUGHMKJGOKRI-UHFFFAOYSA-N

Compound name

fluoro-[(imino-lambda3-iodanyl)methylidene]-lambda3-iodane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 232
References: 10941
Patents: 300.82608 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]+	301.83336	122.3
[M+Na]+	323.81530	116.2
[M-H]-	299.81880	111.0
[M+NH4]+	318.85990	134.1
[M+K]+	339.78924	126.7
[M+H-H2O]+	283.82334	111.6
[M+HCOO]-	345.82428	135.7
[M+CH3COO]-	359.83993	189.7
[M+Na-2H]-	321.80075	112.4
[M]+	300.82553	114.9
[M]-	300.82663	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe