CID 9533927

879319-38-7

Structural Information

Molecular Formula

C₉H₁₀ClNO₃S

SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCl

InChI

InChI=1S/C9H10ClNO3S/c1-15(13,14)8-4-2-3-7(5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)

InChIKey

DESZRBKDEHWJOV-UHFFFAOYSA-N

Compound name

2-chloro-N-(3-methylsulfonylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 247.00699 Da
Monoisotopic Mass: 1.1
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]+	248.01427	148.7
[M+Na]+	269.99621	157.6
[M-H]-	245.99971	153.0
[M+NH4]+	265.04081	167.2
[M+K]+	285.97015	153.3
[M+H-H2O]+	230.00425	144.0
[M+HCOO]-	292.00519	163.1
[M+CH3COO]-	306.02084	189.0
[M+Na-2H]-	267.98166	152.7
[M]+	247.00644	153.3
[M]-	247.00754	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe