CID 640087

1-tosylpyrrole

Structural Information

Molecular Formula

C₁₁H₁₁NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2

InChI

InChI=1S/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H3

InChIKey

OXWIEWFMRVJGNY-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)sulfonylpyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 270
Patents: 221.05106 Da
Monoisotopic Mass: 2.3
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]+	222.05834	147.7
[M+Na]+	244.04028	160.6
[M+NH4]+	239.08488	156.1
[M+K]+	260.01422	154.2
[M-H]-	220.04378	150.3
[M+Na-2H]-	242.02573	155.4
[M]+	221.05051	150.8
[M]-	221.05161	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe