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: 19
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]+	151.05760	128.5
[M+Na]+	173.03954	141.5
[M+NH4]+	168.08414	140.1
[M+K]+	189.01348	133.4
[M-H]-	149.04304	132.4
[M+Na-2H]-	171.02499	135.0
[M]+	150.04977	132.1
[M]-	150.05087	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe