CID 22119022

3-oxo-5-indanesulfonoyl chloride

Structural Information

Molecular Formula

C₉H₇ClO₃S

SMILES

C1CC(=O)C2=C1C=CC(=C2)S(=O)(=O)Cl

InChI

InChI=1S/C9H7ClO3S/c10-14(12,13)7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2

InChIKey

LRHGGWRIMQOJLM-UHFFFAOYSA-N

Compound name

3-oxo-1,2-dihydroindene-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 229.98044 Da
Monoisotopic Mass: 1.7
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]+	230.98772	145.6
[M+Na]+	252.96966	157.8
[M+NH4]+	248.01426	154.5
[M+K]+	268.94360	151.5
[M-H]-	228.97316	146.4
[M+Na-2H]-	250.95511	150.0
[M]+	229.97989	148.2
[M]-	229.98099	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe