CID 10784152

2-iodophenyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₇H₄F₃IO₃S

SMILES

C1=CC=C(C(=C1)OS(=O)(=O)C(F)(F)F)I

InChI

InChI=1S/C7H4F3IO3S/c8-7(9,10)15(12,13)14-6-4-2-1-3-5(6)11/h1-4H

InChIKey

AXIDYNSWXPNBLG-UHFFFAOYSA-N

Compound name

(2-iodophenyl) trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 351.8878 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]+	352.89508	154.0
[M+Na]+	374.87702	156.9
[M-H]-	350.88052	147.6
[M+NH4]+	369.92162	167.0
[M+K]+	390.85096	159.9
[M+H-H2O]+	334.88506	142.7
[M+HCOO]-	396.88600	163.7
[M+CH3COO]-	410.90165	194.1
[M+Na-2H]-	372.86247	146.7
[M]+	351.88725	151.4
[M]-	351.88835	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe