CID 169028

Benzene, dimethyl((methylphenyl)sulfonyl)-

Structural Information

Molecular Formula

C₁₅H₁₆O₂S

SMILES

CC1=C(C(=CC=C1)S(=O)(=O)C2=CC=CC=C2C)C

InChI

InChI=1S/C15H16O2S/c1-11-8-6-10-15(13(11)3)18(16,17)14-9-5-4-7-12(14)2/h4-10H,1-3H3

InChIKey

FCZRXPGPBHXENV-UHFFFAOYSA-N

Compound name

1,2-dimethyl-3-(2-methylphenyl)sulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 260.0871 Da
Monoisotopic Mass: 3.8
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]+	261.09438	158.5
[M+Na]+	283.07632	173.6
[M+NH4]+	278.12092	167.5
[M+K]+	299.05026	164.2
[M-H]-	259.07982	162.9
[M+Na-2H]-	281.06177	167.4
[M]+	260.08655	162.7
[M]-	260.08765	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe