CID 52278

73713-84-5

Structural Information

Molecular Formula
C9H10N2O4S3
SMILES
CS(=O)(=O)N(C1=NC2=CC=CC=C2S1)S(=O)(=O)C
InChI
InChI=1S/C9H10N2O4S3/c1-17(12,13)11(18(2,14)15)9-10-7-5-3-4-6-8(7)16-9/h3-6H,1-2H3
InChIKey
KUFOUUCPSUHARX-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-N-methylsulfonylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.98026 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.98754 167.5
[M+Na]+ 328.96948 176.3
[M+NH4]+ 324.01408 174.1
[M+K]+ 344.94342 169.2
[M-H]- 304.97298 167.3
[M+Na-2H]- 326.95493 170.6
[M]+ 305.97971 169.9
[M]- 305.98081 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.