CID 608422

S,s-diphenylsulfilimine monohydrate

Structural Information

Molecular Formula

C₁₂H₁₁NS

SMILES

C1=CC=C(C=C1)S(=N)C2=CC=CC=C2

InChI

InChI=1S/C12H11NS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H

InChIKey

LEXXWUCMDYEREL-UHFFFAOYSA-N

Compound name

imino(diphenyl)-lambda4-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 99
Patents: 201.06122 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]+	202.06850	140.5
[M+Na]+	224.05044	147.7
[M-H]-	200.05394	147.3
[M+NH4]+	219.09504	159.5
[M+K]+	240.02438	143.0
[M+H-H2O]+	184.05848	133.7
[M+HCOO]-	246.05942	160.6
[M+CH3COO]-	260.07507	153.5
[M+Na-2H]-	222.03589	145.9
[M]+	201.06067	139.1
[M]-	201.06177	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe