CID 786373

565-23-1

Structural Information

Molecular Formula

C₁₂H₈ClFO₂S

SMILES

C1=CC(=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H8ClFO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H

InChIKey

URPIOHXFOXUKJB-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)sulfonyl-4-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 146
Patents: 269.99176 Da
Monoisotopic Mass: 3.4
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]+	270.99904	155.1
[M+Na]+	292.98098	170.0
[M+NH4]+	288.02558	163.8
[M+K]+	308.95492	160.4
[M-H]-	268.98448	157.8
[M+Na-2H]-	290.96643	164.0
[M]+	269.99121	158.9
[M]-	269.99231	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe