CID 18792679

2,3-dihydro-1h-indene-2-thiol

Structural Information

Molecular Formula

C₉H₁₀S

SMILES

C1C(CC2=CC=CC=C21)S

InChI

InChI=1S/C9H10S/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2

InChIKey

JQITYXAHMGVHIR-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-indene-2-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 150.05032 Da
Monoisotopic Mass: 2.6
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]+	151.057596	128.2
[M+Na]+	173.039538	137.7
[M-H]-	149.043044	133.4
[M+NH4]+	168.084143	153.5
[M+K]+	189.013478	134.9
[M+H-H2O]+	133.047580	123.9
[M+HCOO]-	195.048521	147.1
[M+CH3COO]-	209.064171	143.1
[M+Na-2H]-	171.024986	132.3
[M]+	150.04977142	129.3
[M]-	150.05086858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe