CID 10038207

313690-18-5

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃S

SMILES

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

InChI

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

InChIKey

FTWAILLGJAETPR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
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]+	260.014276	153.7
[M+Na]+	281.996218	164.5
[M-H]-	257.999724	157.8
[M+NH4]+	277.040823	173.9
[M+K]+	297.970158	160.3
[M+H-H2O]+	242.004260	149.5
[M+HCOO]-	304.005201	164.7
[M+CH3COO]-	318.020851	188.7
[M+Na-2H]-	279.981666	156.1
[M]+	259.00645142	158.8
[M]-	259.00754858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe