CID 99568

3919-81-1

Structural Information

Molecular Formula

C₁₀H₉NOS₂

SMILES

CC1=CC=C(C=C1)N2C(=O)CSC2=S

InChI

InChI=1S/C10H9NOS2/c1-7-2-4-8(5-3-7)11-9(12)6-14-10(11)13/h2-5H,6H2,1H3

InChIKey

UFIUHRONJXVXHC-UHFFFAOYSA-N

Compound name

3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 223.01256 Da
Monoisotopic Mass: 2.8
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]+	224.01984	147.3
[M+Na]+	246.00178	159.3
[M+NH4]+	241.04638	156.7
[M+K]+	261.97572	150.4
[M-H]-	222.00528	150.9
[M+Na-2H]-	243.98723	152.4
[M]+	223.01201	150.9
[M]-	223.01311	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe