CID 205609

Brn 0240523

Structural Information

Molecular Formula

C₁₄H₁₀N₂S₃

SMILES

C1=CC=C(C=C1)N=C2N(C(=S)SS2)C3=CC=CC=C3

InChI

InChI=1S/C14H10N2S3/c17-14-16(12-9-5-2-6-10-12)13(18-19-14)15-11-7-3-1-4-8-11/h1-10H

InChIKey

MACRUZXACQKSIC-UHFFFAOYSA-N

Compound name

4-phenyl-5-phenylimino-1,2,4-dithiazolidine-3-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 302.0006 Da
Monoisotopic Mass: 4.5
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]+	303.00788	163.9
[M+Na]+	324.98982	176.1
[M-H]-	300.99332	173.7
[M+NH4]+	320.03442	180.9
[M+K]+	340.96376	167.1
[M+H-H2O]+	284.99786	157.2
[M+HCOO]-	346.99880	176.0
[M+CH3COO]-	361.01445	176.1
[M+Na-2H]-	322.97527	165.0
[M]+	302.00005	165.2
[M]-	302.00115	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe