CID 3038250

22054-49-5

Structural Information

Molecular Formula

C₉H₇ClN₂OS₂

SMILES

C1=CC(=C(C=C1Cl)C2C(=S)NC(=S)N2)O

InChI

InChI=1S/C9H7ClN2OS2/c10-4-1-2-6(13)5(3-4)7-8(14)12-9(15)11-7/h1-3,7,13H,(H2,11,12,14,15)

InChIKey

OQGQEMZNZVWHTJ-UHFFFAOYSA-N

Compound name

5-(5-chloro-2-hydroxyphenyl)imidazolidine-2,4-dithione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.96884 Da
Monoisotopic Mass: 2.1
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]+	258.97612	151.0
[M+Na]+	280.95806	161.7
[M-H]-	256.96156	151.9
[M+NH4]+	276.00266	167.2
[M+K]+	296.93200	152.6
[M+H-H2O]+	240.96610	146.9
[M+HCOO]-	302.96704	153.4
[M+CH3COO]-	316.98269	161.6
[M+Na-2H]-	278.94351	147.5
[M]+	257.96829	148.6
[M]-	257.96939	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe