CID 363334

80360-20-9

Structural Information

Molecular Formula

C₁₅H₁₁NO₃S

SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=O

InChI

InChI=1S/C15H11NO3S/c17-11-12-10-16(15-9-5-4-8-14(12)15)20(18,19)13-6-2-1-3-7-13/h1-11H

InChIKey

ZLARITBCJILRBL-UHFFFAOYSA-N

Compound name

1-(benzenesulfonyl)indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 165
Patents: 285.04596 Da
Monoisotopic Mass: 2.7
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]+	286.05324	163.4
[M+Na]+	308.03518	175.3
[M-H]-	284.03868	171.2
[M+NH4]+	303.07978	181.4
[M+K]+	324.00912	170.0
[M+H-H2O]+	268.04322	156.7
[M+HCOO]-	330.04416	182.9
[M+CH3COO]-	344.05981	195.2
[M+Na-2H]-	306.02063	168.8
[M]+	285.04541	169.2
[M]-	285.04651	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe