CID 232740

4-iodobenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula

C₆H₄FIO₂S

SMILES

C1=CC(=CC=C1S(=O)(=O)F)I

InChI

InChI=1S/C6H4FIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H

InChIKey

ATWMMWPERDAQSC-UHFFFAOYSA-N

Compound name

4-iodobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 285.8961 Da
Monoisotopic Mass: 3.0
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]+	286.90338	140.0
[M+Na]+	308.88532	143.1
[M-H]-	284.88882	136.2
[M+NH4]+	303.92992	155.7
[M+K]+	324.85926	146.2
[M+H-H2O]+	268.89336	130.5
[M+HCOO]-	330.89430	153.3
[M+CH3COO]-	344.90995	184.3
[M+Na-2H]-	306.87077	133.2
[M]+	285.89555	138.6
[M]-	285.89665	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe