CID 6370756

Brn 0165085

Structural Information

Molecular Formula

C₁₁H₉NOS₂

SMILES

CN1C(=O)/C(=C\C2=CC=CC=C2)/SC1=S

InChI

InChI=1S/C11H9NOS2/c1-12-10(13)9(15-11(12)14)7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+

InChIKey

WGWHJLDAXAFZNG-VQHVLOKHSA-N

Compound name

(5E)-5-benzylidene-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 235.01256 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]+	236.01984	151.7
[M+Na]+	258.00178	163.6
[M+NH4]+	253.04638	160.7
[M+K]+	273.97572	154.3
[M-H]-	234.00528	155.0
[M+Na-2H]-	255.98723	156.5
[M]+	235.01201	155.2
[M]-	235.01311	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.