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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01038 158.1
[M+Na]+ 312.99232 168.5
[M-H]- 288.99582 160.0
[M+NH4]+ 308.03692 176.7
[M+K]+ 328.96626 163.5
[M+H-H2O]+ 273.00036 154.3
[M+HCOO]- 335.00130 169.4
[M+CH3COO]- 349.01695 192.8
[M+Na-2H]- 310.97777 163.3
[M]+ 290.00255 162.2
[M]- 290.00365 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.