CID 2794749

116748-66-4

Structural Information

Molecular Formula

C₁₂H₈ClFO₂S

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)F

InChI

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

InChIKey

CIDMHDJTWVMBIF-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 183
Patents: 269.99176 Da
Monoisotopic Mass: 3.7
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]+	270.999036	151.9
[M+Na]+	292.980978	163.0
[M-H]-	268.984484	158.4
[M+NH4]+	288.025583	169.9
[M+K]+	308.954918	156.9
[M+H-H2O]+	252.989020	145.5
[M+HCOO]-	314.989961	165.5
[M+CH3COO]-	329.005611	191.4
[M+Na-2H]-	290.966426	156.3
[M]+	269.99121142	155.3
[M]-	269.99230858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe