CID 374284

N-methyl-s,s-diphenylsulfoximine

Structural Information

Molecular Formula

C₁₃H₁₃NOS

SMILES

CN=S(=O)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C13H13NOS/c1-14-16(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3

InChIKey

ICURXVAHBJXJLT-UHFFFAOYSA-N

Compound name

methylimino-oxo-diphenyl-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 231.0718 Da
Monoisotopic Mass: 3.1
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]+	232.07908	149.4
[M+Na]+	254.06102	157.6
[M-H]-	230.06452	157.7
[M+NH4]+	249.10562	168.1
[M+K]+	270.03496	153.4
[M+H-H2O]+	214.06906	142.2
[M+HCOO]-	276.07000	170.6
[M+CH3COO]-	290.08565	190.4
[M+Na-2H]-	252.04647	156.3
[M]+	231.07125	150.9
[M]-	231.07235	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe