CID 108691

55281-23-7

Structural Information

Molecular Formula

C₉H₁₂ClNO₃S

SMILES

CN(CCO)S(=O)(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C9H12ClNO3S/c1-11(6-7-12)15(13,14)9-4-2-8(10)3-5-9/h2-5,12H,6-7H2,1H3

InChIKey

UTTIOMLIJLVTII-UHFFFAOYSA-N

Compound name

4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 249.02264 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]+	250.029916	149.3
[M+Na]+	272.011858	157.8
[M-H]-	248.015364	153.5
[M+NH4]+	267.056463	167.7
[M+K]+	287.985798	154.1
[M+H-H2O]+	232.019900	144.5
[M+HCOO]-	294.020841	163.4
[M+CH3COO]-	308.036491	190.5
[M+Na-2H]-	269.997306	153.3
[M]+	249.02209142	154.6
[M]-	249.02318858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe