CID 16227061

929973-97-7

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O₃S

SMILES

C1CN(C2=C1C=C(C=C2)S(=O)(=O)N)C(=O)CCl

InChI

InChI=1S/C10H11ClN2O3S/c11-6-10(14)13-4-3-7-5-8(17(12,15)16)1-2-9(7)13/h1-2,5H,3-4,6H2,(H2,12,15,16)

InChIKey

IIUNBAYUUAETNG-UHFFFAOYSA-N

Compound name

1-(2-chloroacetyl)-2,3-dihydroindole-5-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 274.01788 Da
Monoisotopic Mass: 0.5
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]+	275.025156	158.0
[M+Na]+	297.007098	167.7
[M-H]-	273.010604	161.3
[M+NH4]+	292.051703	176.8
[M+K]+	312.981038	163.1
[M+H-H2O]+	257.015140	153.5
[M+HCOO]-	319.016081	169.3
[M+CH3COO]-	333.031731	193.1
[M+Na-2H]-	294.992546	160.1
[M]+	274.01733142	161.3
[M]-	274.01842858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe