CID 71329928

93496-73-2

Structural Information

Molecular Formula

C₆H₅FINO₂S

SMILES

C1=CC(=C(C=C1I)S(=O)(=O)F)N

InChI

InChI=1S/C6H5FINO2S/c7-12(10,11)6-3-4(8)1-2-5(6)9/h1-3H,9H2

InChIKey

MCYKSEOEKZIXBZ-UHFFFAOYSA-N

Compound name

2-amino-5-iodobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.90698 Da
Monoisotopic Mass: 2.2
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]+	301.91426	147.7
[M+Na]+	323.89620	150.5
[M-H]-	299.89970	143.5
[M+NH4]+	318.94080	162.3
[M+K]+	339.87014	153.0
[M+H-H2O]+	283.90424	137.7
[M+HCOO]-	345.90518	161.0
[M+CH3COO]-	359.92083	189.4
[M+Na-2H]-	321.88165	139.2
[M]+	300.90643	144.7
[M]-	300.90753	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.