CID 3049612

Crl 40,411

Structural Information

Molecular Formula

C₉H₁₀ClNO₃S

SMILES

C1=CC(=CC=C1CS(=O)CC(=O)NO)Cl

InChI

InChI=1S/C9H10ClNO3S/c10-8-3-1-7(2-4-8)5-15(14)6-9(12)11-13/h1-4,13H,5-6H2,(H,11,12)

InChIKey

PXGAWKXQCYIIOA-UHFFFAOYSA-N

Compound name

2-[(4-chlorophenyl)methylsulfinyl]-N-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 247.00699 Da
Monoisotopic Mass: 0.6
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	148.3
[M+Na]+	269.99621	155.8
[M-H]-	245.99971	150.9
[M+NH4]+	265.04081	165.9
[M+K]+	285.97015	151.2
[M+H-H2O]+	230.00425	143.5
[M+HCOO]-	292.00519	161.5
[M+CH3COO]-	306.02084	187.9
[M+Na-2H]-	267.98166	150.0
[M]+	247.00644	151.6
[M]-	247.00754	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe