CID 217868

Brn 0796139

Structural Information

Molecular Formula

C₁₀H₁₀ClNO₃S

SMILES

C1=CC=C2C(=C1)C(=C(S2(=O)=O)Cl)NCCO

InChI

InChI=1S/C10H10ClNO3S/c11-10-9(12-5-6-13)7-3-1-2-4-8(7)16(10,14)15/h1-4,12-13H,5-6H2

InChIKey

ZWPBBNYLOBXNLX-UHFFFAOYSA-N

Compound name

2-[(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.007 Da
Monoisotopic Mass: 1.2
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	149.4
[M+Na]+	281.996218	161.3
[M-H]-	257.999724	153.9
[M+NH4]+	277.040823	172.2
[M+K]+	297.970158	155.5
[M+H-H2O]+	242.004260	146.4
[M+HCOO]-	304.005201	165.0
[M+CH3COO]-	318.020851	189.2
[M+Na-2H]-	279.981666	154.3
[M]+	259.00645142	155.6
[M]-	259.00754858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.