CID 323455

59311-29-4

Structural Information

Molecular Formula
C15H16O4S2
SMILES
C1CSC(SC1)(C2CC(=O)OC2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C15H16O4S2/c16-14-7-11(8-17-14)15(20-4-1-5-21-15)10-2-3-12-13(6-10)19-9-18-12/h2-3,6,11H,1,4-5,7-9H2
InChIKey
OWUSQWFRFADSFN-UHFFFAOYSA-N
Compound name
4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.049 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.05628 168.3
[M+Na]+ 347.03822 175.9
[M-H]- 323.04172 180.1
[M+NH4]+ 342.08282 185.8
[M+K]+ 363.01216 176.1
[M+H-H2O]+ 307.04626 166.1
[M+HCOO]- 369.04720 176.5
[M+CH3COO]- 383.06285 180.0
[M+Na-2H]- 345.02367 169.0
[M]+ 324.04845 169.5
[M]- 324.04955 169.5
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.