CID 55279539

173669-61-9

Structural Information

Molecular Formula

C₉H₁₀ClNO₂S

SMILES

CN1CCC2=C1C=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C9H10ClNO2S/c1-11-5-4-7-2-3-8(6-9(7)11)14(10,12)13/h2-3,6H,4-5H2,1H3

InChIKey

ORDYBOFQRJTHRV-UHFFFAOYSA-N

Compound name

1-methyl-2,3-dihydroindole-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 231.01208 Da
Monoisotopic Mass: 2.1
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]+	232.019356	147.2
[M+Na]+	254.001298	158.7
[M-H]-	230.004804	151.4
[M+NH4]+	249.045903	168.7
[M+K]+	269.975238	154.3
[M+H-H2O]+	214.009340	143.1
[M+HCOO]-	276.010281	159.2
[M+CH3COO]-	290.025931	184.3
[M+Na-2H]-	251.986746	150.8
[M]+	231.01153142	151.8
[M]-	231.01262858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe