CID 2736651

33462-80-5

Structural Information

Molecular Formula

C₁₅H₁₆ClS

SMILES

C1=CC=C(C=C1)[S+](CCCCl)C2=CC=CC=C2

InChI

InChI=1S/C15H16ClS/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2/q+1

InChIKey

RRSCKNNTJGOTAD-UHFFFAOYSA-N

Compound name

3-chloropropyl(diphenyl)sulfanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 263.06613 Da
Monoisotopic Mass: 5.0
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]+	264.07341	154.4
[M+Na]+	286.05535	172.2
[M+NH4]+	281.09995	166.5
[M+K]+	302.02929	160.7
[M-H]-	262.05885	162.3
[M+Na-2H]-	284.04080	166.0
[M]+	263.06558	160.6
[M]-	263.06668	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe