CID 52939580

Cxl-1020

Structural Information

Molecular Formula

C₇H₉NO₅S₂

SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NO

InChI

InChI=1S/C7H9NO5S2/c1-14(10,11)6-4-2-3-5-7(6)15(12,13)8-9/h2-5,8-9H,1H3

InChIKey

RZRWBKKAFHXNEQ-UHFFFAOYSA-N

Compound name

N-hydroxy-2-methylsulfonylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 172
Patents: 250.99222 Da
Monoisotopic Mass: -0.4
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]+	251.99950	150.3
[M+Na]+	273.98144	158.4
[M-H]-	249.98494	152.4
[M+NH4]+	269.02604	166.4
[M+K]+	289.95538	153.9
[M+H-H2O]+	233.98948	144.5
[M+HCOO]-	295.99042	162.3
[M+CH3COO]-	310.00607	185.4
[M+Na-2H]-	271.96689	155.6
[M]+	250.99167	152.9
[M]-	250.99277	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe