CID 730427

24760-36-9

Structural Information

Molecular Formula

C₁₄H₈O₂S

SMILES

C1=CC=C2C(=C1)C(=O)C(=CC3=CC=CS3)C2=O

InChI

InChI=1S/C14H8O2S/c15-13-10-5-1-2-6-11(10)14(16)12(13)8-9-4-3-7-17-9/h1-8H

InChIKey

TWXXLVDSKBCTBT-UHFFFAOYSA-N

Compound name

2-(thiophen-2-ylmethylidene)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 5
Patents: 240.0245 Da
Monoisotopic Mass: 3.2
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]+	241.03178	153.4
[M+Na]+	263.01372	166.1
[M+NH4]+	258.05832	163.1
[M+K]+	278.98766	159.9
[M-H]-	239.01722	157.3
[M+Na-2H]-	260.99917	159.1
[M]+	240.02395	156.7
[M]-	240.02505	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe