CID 3045438

60708-65-8

Structural Information

Molecular Formula

C₉H₇BrN₂OS

SMILES

C1C(=O)N(C(=N)S1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C9H7BrN2OS/c10-6-1-3-7(4-2-6)12-8(13)5-14-9(12)11/h1-4,11H,5H2

InChIKey

KXQMPASSSGGOFD-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)-2-imino-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 269.94626 Da
Monoisotopic Mass: 2.6
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]+	270.95354	142.5
[M+Na]+	292.93548	155.5
[M-H]-	268.93898	151.3
[M+NH4]+	287.98008	163.8
[M+K]+	308.90942	142.9
[M+H-H2O]+	252.94352	142.4
[M+HCOO]-	314.94446	159.7
[M+CH3COO]-	328.96011	192.4
[M+Na-2H]-	290.92093	146.0
[M]+	269.94571	160.1
[M]-	269.94681	160.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.