CID 585579

2-phenylsulfanylethenylsulfanylbenzene

Structural Information

Molecular Formula

C₁₄H₁₂S₂

SMILES

C1=CC=C(C=C1)SC=CSC2=CC=CC=C2

InChI

InChI=1S/C14H12S2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-12H

InChIKey

UHGSEDVQATYWGI-UHFFFAOYSA-N

Compound name

2-phenylsulfanylethenylsulfanylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 244.03804 Da
Monoisotopic Mass: 4.6
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]+	245.04532	149.1
[M+Na]+	267.02726	163.9
[M+NH4]+	262.07186	160.1
[M+K]+	283.00120	150.5
[M-H]-	243.03076	155.4
[M+Na-2H]-	265.01271	159.1
[M]+	244.03749	154.3
[M]-	244.03859	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe