CID 3142583

52205-85-3

Structural Information

Molecular Formula

C₉H₉ClO₂S

SMILES

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

InChI

InChI=1S/C9H9ClO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2

InChIKey

SWLIXMXSCZYVTQ-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-indene-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 216.00117 Da
Monoisotopic Mass: 2.8
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]+	217.00845	142.9
[M+Na]+	238.99039	155.3
[M+NH4]+	234.03499	152.7
[M+K]+	254.96433	148.4
[M-H]-	214.99389	144.5
[M+Na-2H]-	236.97584	148.1
[M]+	216.00062	145.9
[M]-	216.00172	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe