CID 91928409

888225-62-5

Structural Information

Molecular Formula

C₉H₁₀N₂O₅S₂

SMILES

CS(=O)(=O)NCC1=CC2=C(C=C1)C(=O)NS2(=O)=O

InChI

InChI=1S/C9H10N2O5S2/c1-17(13,14)10-5-6-2-3-7-8(4-6)18(15,16)11-9(7)12/h2-4,10H,5H2,1H3,(H,11,12)

InChIKey

IQGXFBWBHSRBEP-UHFFFAOYSA-N

Compound name

N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 290.0031 Da
Monoisotopic Mass: -0.2
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]+	291.010376	158.1
[M+Na]+	312.992318	168.5
[M-H]-	288.995824	160.0
[M+NH4]+	308.036923	176.7
[M+K]+	328.966258	163.5
[M+H-H2O]+	273.000360	154.3
[M+HCOO]-	335.001301	169.4
[M+CH3COO]-	349.016951	192.8
[M+Na-2H]-	310.977766	163.3
[M]+	290.00255142	162.2
[M]-	290.00364858	162.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.