CID 581421

2-chlorophenyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₇H₄ClF₃O₃S

SMILES

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

InChI

InChI=1S/C7H4ClF3O3S/c8-5-3-1-2-4-6(5)14-15(12,13)7(9,10)11/h1-4H

InChIKey

KTLNEJOQAOFUTO-UHFFFAOYSA-N

Compound name

(2-chlorophenyl) trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 259.95218 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]+	260.95946	151.9
[M+Na]+	282.94140	160.8
[M+NH4]+	277.98600	157.1
[M+K]+	298.91534	154.9
[M-H]-	258.94490	147.6
[M+Na-2H]-	280.92685	155.3
[M]+	259.95163	152.4
[M]-	259.95273	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe