CID 121195

Bis(prop-2-ynyl) sulfite

Structural Information

Molecular Formula
C6H6O3S
SMILES
C#CCOS(=O)OCC#C
InChI
InChI=1S/C6H6O3S/c1-3-5-8-10(7)9-6-4-2/h1-2H,5-6H2
InChIKey
IBFKUDZISVEAJN-UHFFFAOYSA-N
Compound name
bis(prop-2-ynyl) sulfite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

158.00377 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.01105 146.9
[M+Na]+ 180.99299 154.3
[M+NH4]+ 176.03759 147.2
[M+K]+ 196.96693 144.8
[M-H]- 156.99649 134.4
[M+Na-2H]- 178.97844 144.5
[M]+ 158.00322 143.3
[M]- 158.00432 143.3
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