CID 82291555

4-phenylbenzene-1-sulfonylfluoride

Structural Information

Molecular Formula

C₁₂H₉FO₂S

SMILES

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

InChI

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

InChIKey

PNFCPDDYELHQKF-UHFFFAOYSA-N

Compound name

4-phenylbenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 236.03073 Da
Monoisotopic Mass: 4.0
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