CID 67556

312-31-2

Structural Information

Molecular Formula

C₁₂H₉FO₂S

SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H9FO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H

InChIKey

MONGUDQJUIVFPI-UHFFFAOYSA-N

Compound name

1-(benzenesulfonyl)-4-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 231
Patents: 236.03073 Da
Monoisotopic Mass: 2.6
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]+	237.03801	149.4
[M+Na]+	259.01995	163.2
[M+NH4]+	254.06455	157.9
[M+K]+	274.99389	154.2
[M-H]-	235.02345	152.1
[M+Na-2H]-	257.00540	158.4
[M]+	236.03018	152.7
[M]-	236.03128	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe