CID 2737096

147808-02-4

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1I)F)I

InChI

InChI=1S/C6H3FI2/c7-5-3-4(8)1-2-6(5)9/h1-3H

InChIKey

IQTKOCIDYDYDSB-UHFFFAOYSA-N

Compound name

2-fluoro-1,4-diiodobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 347.8308 Da
Monoisotopic Mass: 3.3
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]+	348.83808	131.8
[M+Na]+	370.82002	126.9
[M-H]-	346.82352	122.9
[M+NH4]+	365.86462	142.7
[M+K]+	386.79396	136.6
[M+H-H2O]+	330.82806	120.4
[M+HCOO]-	392.82900	144.1
[M+CH3COO]-	406.84465	197.7
[M+Na-2H]-	368.80547	121.1
[M]+	347.83025	126.1
[M]-	347.83135	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe