CID 4271571

27918-37-2

Structural Information

Molecular Formula

C₁₅H₁₄O₄S

SMILES

COC1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H14O4S/c1-19-13-9-7-12(8-10-13)15(16)11-20(17,18)14-5-3-2-4-6-14/h2-10H,11H2,1H3

InChIKey

ZVVAUSXHYOKZSR-UHFFFAOYSA-N

Compound name

2-(benzenesulfonyl)-1-(4-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 290.06128 Da
Monoisotopic Mass: 2.5
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]+	291.06856	163.4
[M+Na]+	313.05050	176.4
[M+NH4]+	308.09510	170.7
[M+K]+	329.02444	168.5
[M-H]-	289.05400	166.1
[M+Na-2H]-	311.03595	171.5
[M]+	290.06073	166.5
[M]-	290.06183	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe