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 168.9
[M+Na]+ 328.96948 179.6
[M-H]- 304.97298 173.1
[M+NH4]+ 324.01408 185.8
[M+K]+ 344.94342 174.6
[M+H-H2O]+ 288.97752 163.6
[M+HCOO]- 350.97846 177.3
[M+CH3COO]- 364.99411 199.9
[M+Na-2H]- 326.95493 174.3
[M]+ 305.97971 175.2
[M]- 305.98081 175.2
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.