CID 11138747

16851-72-2

Structural Information

Molecular Formula

C₁₁H₁₃NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=CC2

InChI

InChI=1S/C11H13NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-7H,8-9H2,1H3

InChIKey

UNYMIBRUQCUASP-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 223.0667 Da
Monoisotopic Mass: 1.7
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]+	224.07398	148.8
[M+Na]+	246.05592	160.7
[M+NH4]+	241.10052	157.1
[M+K]+	262.02986	154.6
[M-H]-	222.05942	151.1
[M+Na-2H]-	244.04137	155.6
[M]+	223.06615	151.6
[M]-	223.06725	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe