CID 2794195

2-(4-chlorobenzenesulfonyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₈H₁₀ClNO₂S

SMILES

C1=CC(=CC=C1S(=O)(=O)CCN)Cl

InChI

InChI=1S/C8H10ClNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,5-6,10H2

InChIKey

DFTUTJWZDJHCGI-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)sulfonylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 219.01208 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]+	220.01936	142.6
[M+Na]+	242.00130	152.0
[M-H]-	218.00480	146.4
[M+NH4]+	237.04590	162.1
[M+K]+	257.97524	147.1
[M+H-H2O]+	202.00934	138.1
[M+HCOO]-	264.01028	157.2
[M+CH3COO]-	278.02593	184.0
[M+Na-2H]-	239.98675	146.9
[M]+	219.01153	145.7
[M]-	219.01263	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe