CID 248881

1,1-dioxido-2,3-dihydro-1,2-benzisothiazol-3-yl 2-methylbenzenesulfonate

Structural Information

Molecular Formula
C14H13NO5S2
SMILES
CC1=CC=CC=C1S(=O)(=O)OC2C3=CC=CC=C3S(=O)(=O)N2
InChI
InChI=1S/C14H13NO5S2/c1-10-6-2-4-8-12(10)22(18,19)20-14-11-7-3-5-9-13(11)21(16,17)15-14/h2-9,14-15H,1H3
InChIKey
KKDFWTGOOLHBNV-UHFFFAOYSA-N
Compound name
(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl) 2-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.02353 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.03081 174.0
[M+Na]+ 362.01275 184.8
[M-H]- 338.01625 179.3
[M+NH4]+ 357.05735 191.0
[M+K]+ 377.98669 179.3
[M+H-H2O]+ 322.02079 169.1
[M+HCOO]- 384.02173 184.6
[M+CH3COO]- 398.03738 199.3
[M+Na-2H]- 359.99820 178.3
[M]+ 339.02298 179.0
[M]- 339.02408 179.0
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.