CID 67842

383-29-9

Structural Information

Molecular Formula

C₁₂H₈F₂O₂S

SMILES

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

InChI

InChI=1S/C12H8F2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H

InChIKey

PLVUIVUKKJTSDM-UHFFFAOYSA-N

Compound name

1-fluoro-4-(4-fluorophenyl)sulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 4703
Patents: 254.0213 Da
Monoisotopic Mass: 3.0
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]+	255.02858	154.3
[M+Na]+	277.01052	167.1
[M+NH4]+	272.05512	161.7
[M+K]+	292.98446	158.5
[M-H]-	253.01402	155.3
[M+Na-2H]-	274.99597	162.0
[M]+	254.02075	156.9
[M]-	254.02185	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe