CID 555681

1-(phenylsulfonyl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₉NO₃S

SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C=O

InChI

InChI=1S/C11H9NO3S/c13-9-10-5-4-8-12(10)16(14,15)11-6-2-1-3-7-11/h1-9H

InChIKey

XZMIDORMXBMWTQ-UHFFFAOYSA-N

Compound name

1-(benzenesulfonyl)pyrrole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 235.03032 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]+	236.03760	150.6
[M+Na]+	258.01954	163.0
[M+NH4]+	253.06414	158.1
[M+K]+	273.99348	157.0
[M-H]-	234.02304	152.4
[M+Na-2H]-	256.00499	157.7
[M]+	235.02977	153.2
[M]-	235.03087	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe