CID 140146

1-(phenylsulfonyl)pyrrole

Structural Information

Molecular Formula

C₁₀H₉NO₂S

SMILES

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

InChI

InChI=1S/C10H9NO2S/c12-14(13,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-9H

InChIKey

PPPXRIUHKCOOMU-UHFFFAOYSA-N

Compound name

1-(benzenesulfonyl)pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 405
Patents: 207.0354 Da
Monoisotopic Mass: 1.9
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]+	208.04268	143.3
[M+Na]+	230.02462	156.0
[M+NH4]+	225.06922	151.8
[M+K]+	245.99856	149.6
[M-H]-	206.02812	145.8
[M+Na-2H]-	228.01007	151.4
[M]+	207.03485	146.3
[M]-	207.03595	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe