CID 96876

Indane-5-sulfonamide

Structural Information

Molecular Formula

C₉H₁₁NO₂S

SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12)

InChIKey

XVQJTFMKKZBBSX-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-indene-5-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 99
Patents: 197.05106 Da
Monoisotopic Mass: 1.3
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]+	198.05834	140.0
[M+Na]+	220.04028	150.0
[M+NH4]+	215.08488	148.9
[M+K]+	236.01422	144.6
[M-H]-	196.04378	141.6
[M+Na-2H]-	218.02573	144.5
[M]+	197.05051	142.2
[M]-	197.05161	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe