CID 291589

Nsc156905

Structural Information

Molecular Formula

C₁₇H₁₄S₂

SMILES

C1CSC2(S1)C(=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C17H14S2/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)17(15)18-11-12-19-17/h1-10H,11-12H2

InChIKey

DNDZOQOMRNXBCS-UHFFFAOYSA-N

Compound name

1,2-diphenyl-4,7-dithiaspiro[2.4]hept-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.05368 Da
Monoisotopic Mass: 4.0
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]+	283.06096	151.1
[M+Na]+	305.04290	161.9
[M-H]-	281.04640	163.1
[M+NH4]+	300.08750	167.1
[M+K]+	321.01684	157.0
[M+H-H2O]+	265.05094	145.4
[M+HCOO]-	327.05188	166.0
[M+CH3COO]-	341.06753	163.9
[M+Na-2H]-	303.02835	154.0
[M]+	282.05313	154.2
[M]-	282.05423	154.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.