CID 10244468

Benzylsulfinylsulfanylmethylbenzene

Structural Information

Molecular Formula

C₁₄H₁₄OS₂

SMILES

C1=CC=C(C=C1)CSS(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H14OS2/c15-17(12-14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10H,11-12H2

InChIKey

VUJONJHZKSZFSA-UHFFFAOYSA-N

Compound name

benzylsulfinylsulfanylmethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 3
Patents: 262.0486 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]+	263.05588	152.7
[M+Na]+	285.03782	166.5
[M+NH4]+	280.08242	162.9
[M+K]+	301.01176	154.5
[M-H]-	261.04132	158.2
[M+Na-2H]-	283.02327	161.9
[M]+	262.04805	157.4
[M]-	262.04915	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe