CID 373749

60147-18-4

Structural Information

Molecular Formula

C₁₀H₁₄S₄

SMILES

C1CSCC2=CC=C(S2)CSCCS1

InChI

InChI=1S/C10H14S4/c1-2-10-8-13-6-4-11-3-5-12-7-9(1)14-10/h1-2H,3-8H2

InChIKey

GFFSEQUFOHFBGI-UHFFFAOYSA-N

Compound name

3,6,9,14-tetrathiabicyclo[9.2.1]tetradeca-1(13),11-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 18
Patents: 261.99783 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]+	263.00511	138.6
[M+Na]+	284.98705	146.7
[M+NH4]+	280.03165	149.2
[M+K]+	300.96099	135.4
[M-H]-	260.99055	142.1
[M+Na-2H]-	282.97250	141.5
[M]+	261.99728	142.3
[M]-	261.99838	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe