CID 561408

39582-96-2

Structural Information

Molecular Formula
C11H12O5S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2CS(=O)(=O)C=C2
InChI
InChI=1S/C11H12O5S2/c1-9-2-4-11(5-3-9)18(14,15)16-10-6-7-17(12,13)8-10/h2-7,10H,8H2,1H3
InChIKey
SAYGBRLGVYMXRN-UHFFFAOYSA-N
Compound name
(1,1-dioxo-2,3-dihydrothiophen-3-yl) 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.0126 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01988 162.1
[M+Na]+ 311.00182 172.3
[M+NH4]+ 306.04642 170.4
[M+K]+ 326.97576 164.0
[M-H]- 287.00532 163.2
[M+Na-2H]- 308.98727 168.5
[M]+ 288.01205 164.9
[M]- 288.01315 164.9
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

patents stripe