CID 1810543

17654-88-5

Structural Information

Molecular Formula

C₈H₆N₂S₃

SMILES

C1=CC=C(C=C1)N2C(=S)SC(=S)N2

InChI

InChI=1S/C8H6N2S3/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6/h1-5H,(H,9,11)

InChIKey

JRFUIXXCQSIOEB-UHFFFAOYSA-N

Compound name

3-phenyl-1,3,4-thiadiazolidine-2,5-dithione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 183
Patents: 225.96931 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]+	226.97659	142.3
[M+Na]+	248.95853	155.0
[M+NH4]+	244.00313	151.6
[M+K]+	264.93247	144.4
[M-H]-	224.96203	145.7
[M+Na-2H]-	246.94398	147.8
[M]+	225.96876	146.4
[M]-	225.96986	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe