CID 6447382

74039-55-7

Structural Information

Molecular Formula
C8H12O6S2
SMILES
C/1OS(=O)OC/C=C\COS(=O)OC/C=C1
InChI
InChI=1S/C8H12O6S2/c9-15-11-5-1-2-6-12-16(10)14-8-4-3-7-13-15/h1-4H,5-8H2/b2-1-,4-3-
InChIKey
QNTDGNSZBZTPPR-LOKDLIDFSA-N
Compound name
(5Z,12Z)-1,3,8,10-tetraoxa-2lambda4,9lambda4-dithiacyclotetradeca-5,12-diene 2,9-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.00754 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.014816 150.5
[M+Na]+ 290.996758 157.8
[M-H]- 267.000264 155.4
[M+NH4]+ 286.041363 159.5
[M+K]+ 306.970698 160.8
[M+H-H2O]+ 251.004800 149.4
[M+HCOO]- 313.005741 159.4
[M+CH3COO]- 327.021391 181.2
[M+Na-2H]- 288.982206 154.5
[M]+ 268.00699142 150.4
[M]- 268.00808858 150.4
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.