CID 341857

74122-58-0

Structural Information

Molecular Formula
C15H12O6S2
SMILES
COC(=O)C(=O)C1CSC2=C(C1=O)CS(=O)(=O)C3=CC=CC=C32
InChI
InChI=1S/C15H12O6S2/c1-21-15(18)13(17)9-6-22-14-8-4-2-3-5-11(8)23(19,20)7-10(14)12(9)16/h2-5,9H,6-7H2,1H3
InChIKey
JXVQOHFSFCWZRH-UHFFFAOYSA-N
Compound name
methyl 2-oxo-2-(4,6,6-trioxo-3,5-dihydro-2H-thiopyrano[3,2-c]thiochromen-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.00754 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.01482 169.6
[M+Na]+ 374.99676 177.3
[M-H]- 351.00026 173.5
[M+NH4]+ 370.04136 186.6
[M+K]+ 390.97070 173.6
[M+H-H2O]+ 335.00480 164.5
[M+HCOO]- 397.00574 176.5
[M+CH3COO]- 411.02139 208.1
[M+Na-2H]- 372.98221 173.3
[M]+ 352.00699 174.4
[M]- 352.00809 174.4
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.