CID 91662773

1695757-70-0

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

C1C(CC2=CC=CC=C21)CS(=O)(=O)N

InChI

InChI=1S/C10H13NO2S/c11-14(12,13)7-8-5-9-3-1-2-4-10(9)6-8/h1-4,8H,5-7H2,(H2,11,12,13)

InChIKey

JQVKXAYXFRIXAF-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-inden-2-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.0667 Da
Monoisotopic Mass: 1.2
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]+	212.073976	144.3
[M+Na]+	234.055918	152.9
[M-H]-	210.059424	148.6
[M+NH4]+	229.100523	166.1
[M+K]+	250.029858	149.4
[M+H-H2O]+	194.063960	139.5
[M+HCOO]-	256.064901	162.2
[M+CH3COO]-	270.080551	184.0
[M+Na-2H]-	232.041366	148.4
[M]+	211.06615142	144.9
[M]-	211.06724858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe