CID 6447382

2-butynylene sulfite

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]+ 269.01482 147.4
[M+Na]+ 290.99676 157.5
[M+NH4]+ 286.04136 153.4
[M+K]+ 306.97070 151.3
[M-H]- 267.00026 153.9
[M+Na-2H]- 288.98221 150.1
[M]+ 268.00699 151.2
[M]- 268.00809 151.2
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.