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

5
Annotation Hits: 42
References: 13225
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]+	215.088896	145.4
[M+Na]+	237.070838	152.8
[M-H]-	213.074344	152.0
[M+NH4]+	232.115443	164.5
[M+K]+	253.044778	148.0
[M+H-H2O]+	197.078880	138.5
[M+HCOO]-	259.079821	164.9
[M+CH3COO]-	273.095471	158.4
[M+Na-2H]-	235.056286	150.4
[M]+	214.08107142	146.8
[M]-	214.08216858	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe