CID 59405766

1-methyl-1h-indole-6-sulfonyl chloride

Structural Information

Molecular Formula

C₉H₈ClNO₂S

SMILES

CN1C=CC2=C1C=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C9H8ClNO2S/c1-11-5-4-7-2-3-8(6-9(7)11)14(10,12)13/h2-6H,1H3

InChIKey

NNIPJCDUMHKFGJ-UHFFFAOYSA-N

Compound name

1-methylindole-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 228.99643 Da
Monoisotopic Mass: 2.0
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]+	230.00371	146.1
[M+Na]+	251.98565	160.5
[M+NH4]+	247.03025	155.2
[M+K]+	267.95959	153.5
[M-H]-	227.98915	147.3
[M+Na-2H]-	249.97110	152.2
[M]+	228.99588	149.4
[M]-	228.99698	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe