CID 425251

22731-83-5

Structural Information

Molecular Formula

C₁₂H₁₁NOS

SMILES

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

InChI

InChI=1S/C12H11NOS/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H

InChIKey

KNPJTNDEHOFWKA-UHFFFAOYSA-N

Compound name

imino-oxo-diphenyl-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 217.05614 Da
Monoisotopic Mass: 3.7
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]+	218.06342	145.7
[M+Na]+	240.04536	159.5
[M+NH4]+	235.08996	155.2
[M+K]+	256.01930	150.1
[M-H]-	216.04886	150.7
[M+Na-2H]-	238.03081	156.1
[M]+	217.05559	149.7
[M]-	217.05669	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe