CID 265878

65085-83-8

Structural Information

Molecular Formula

C₁₄H₁₂O₃S

SMILES

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

InChI

InChI=1S/C14H12O3S/c1-11(15)12-7-9-14(10-8-12)18(16,17)13-5-3-2-4-6-13/h2-10H,1H3

InChIKey

FGFHDNIGKVTTLC-UHFFFAOYSA-N

Compound name

1-[4-(benzenesulfonyl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 250
Patents: 260.05072 Da
Monoisotopic Mass: 2.4
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]+	261.05800	156.0
[M+Na]+	283.03994	169.7
[M+NH4]+	278.08454	164.1
[M+K]+	299.01388	161.5
[M-H]-	259.04344	159.3
[M+Na-2H]-	281.02539	164.7
[M]+	260.05017	159.5
[M]-	260.05127	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe