CID 11708365

Auriclosene

Structural Information

Molecular Formula

C₄H₉Cl₂NO₃S

SMILES

CC(C)(CS(=O)(=O)O)N(Cl)Cl

InChI

InChI=1S/C4H9Cl2NO3S/c1-4(2,7(5)6)3-11(8,9)10/h3H2,1-2H3,(H,8,9,10)

InChIKey

QYNRGGHZWCUZLK-UHFFFAOYSA-N

Compound name

2-(dichloroamino)-2-methylpropane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 15
References: 325
Patents: 220.96802 Da
Monoisotopic Mass: -1.9
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]+	221.97530	139.1
[M+Na]+	243.95724	147.7
[M-H]-	219.96074	140.1
[M+NH4]+	239.00184	158.9
[M+K]+	259.93118	144.6
[M+H-H2O]+	203.96528	137.0
[M+HCOO]-	265.96622	146.7
[M+CH3COO]-	279.98187	184.2
[M+Na-2H]-	241.94269	143.6
[M]+	220.96747	144.5
[M]-	220.96857	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe