CID 10867

Dibenzyl sulfide

Structural Information

Molecular Formula

C₁₄H₁₄S

SMILES

C1=CC=C(C=C1)CSCC2=CC=CC=C2

InChI

InChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

LUFPJJNWMYZRQE-UHFFFAOYSA-N

Compound name

benzylsulfanylmethylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 42
References: 12576
Patents: 214.08162 Da
Monoisotopic Mass: 3.9
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]+	215.08890	146.0
[M+Na]+	237.07084	161.5
[M+NH4]+	232.11544	157.1
[M+K]+	253.04478	149.8
[M-H]-	213.07434	152.4
[M+Na-2H]-	235.05629	157.1
[M]+	214.08107	150.8
[M]-	214.08217	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe