CID 209691

20174-55-4

Structural Information

Molecular Formula

C₁₀H₈BrNOS₂

SMILES

CC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H8BrNOS2/c1-6-9(13)12(10(14)15-6)8-4-2-7(11)3-5-8/h2-6H,1H3

InChIKey

NIKPYJOLPHRQBB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.92307 Da
Monoisotopic Mass: 3.5
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]+	301.93035	141.4
[M+Na]+	323.91229	156.4
[M-H]-	299.91579	150.5
[M+NH4]+	318.95689	162.7
[M+K]+	339.88623	142.9
[M+H-H2O]+	283.92033	142.8
[M+HCOO]-	345.92127	152.6
[M+CH3COO]-	359.93692	157.0
[M+Na-2H]-	321.89774	142.4
[M]+	300.92252	161.4
[M]-	300.92362	161.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.