CID 5383944

963-15-5

Structural Information

Molecular Formula

C₁₄H₁₂O₄S₂

SMILES

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

InChI

InChI=1S/C14H12O4S2/c15-19(16,13-7-3-1-4-8-13)11-12-20(17,18)14-9-5-2-6-10-14/h1-12H/b12-11-

InChIKey

YGBXMKGCEHIWMO-QXMHVHEDSA-N

Compound name

[(Z)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 198
Patents: 308.0177 Da
Monoisotopic Mass: 2.1
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]+	309.02498	167.9
[M+Na]+	331.00692	179.8
[M+NH4]+	326.05152	174.8
[M+K]+	346.98086	170.3
[M-H]-	307.01042	169.7
[M+Na-2H]-	328.99237	175.3
[M]+	308.01715	171.1
[M]-	308.01825	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe