CID 16227626

166883-20-1

Structural Information

Molecular Formula

C₉H₈ClNO₃S

SMILES

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

InChI

InChI=1S/C9H8ClNO3S/c1-11-8-3-2-7(15(10,13)14)4-6(8)5-9(11)12/h2-4H,5H2,1H3

InChIKey

YFRKJJDSYAKRAU-UHFFFAOYSA-N

Compound name

1-methyl-2-oxo-3H-indole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 244.99135 Da
Monoisotopic Mass: 1.0
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]+	245.99863	150.2
[M+Na]+	267.98057	162.6
[M+NH4]+	263.02517	158.3
[M+K]+	283.95451	156.7
[M-H]-	243.98407	150.3
[M+Na-2H]-	265.96602	153.9
[M]+	244.99080	152.7
[M]-	244.99190	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe