CID 14024596

52206-05-0

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃S

SMILES

CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)Cl

InChI

InChI=1S/C10H10ClNO3S/c1-7(13)12-5-4-8-6-9(16(11,14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3

InChIKey

QNFXLCHANYHGIF-UHFFFAOYSA-N

Compound name

1-acetyl-2,3-dihydroindole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 229
Patents: 259.007 Da
Monoisotopic Mass: 1.3
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]+	260.01428	154.1
[M+Na]+	281.99622	165.5
[M+NH4]+	277.04082	161.8
[M+K]+	297.97016	160.1
[M-H]-	257.99972	153.8
[M+Na-2H]-	279.98167	157.5
[M]+	259.00645	156.2
[M]-	259.00755	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe