CID 75197

Tetronal

Structural Information

Molecular Formula
C9H20O4S2
SMILES
CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC
InChI
InChI=1S/C9H20O4S2/c1-5-9(6-2,14(10,11)7-3)15(12,13)8-4/h5-8H2,1-4H3
InChIKey
VTZYVPLHCQBWSP-UHFFFAOYSA-N
Compound name
3,3-bis(ethylsulfonyl)pentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

148
Patents

256.0803 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08758 164.5
[M+Na]+ 279.06952 171.0
[M+NH4]+ 274.11412 169.5
[M+K]+ 295.04346 164.6
[M-H]- 255.07302 160.3
[M+Na-2H]- 277.05497 163.9
[M]+ 256.07975 165.0
[M]- 256.08085 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe