CID 31347

Sulfolane

Structural Information

Molecular Formula
C4H8O2S
SMILES
C1CCS(=O)(=O)C1
InChI
InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2
InChIKey
HXJUTPCZVOIRIF-UHFFFAOYSA-N
Compound name
thiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

115
References

71491
Patents

120.0245 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.03178 122.9
[M+Na]+ 143.01372 132.5
[M+NH4]+ 138.05832 133.4
[M+K]+ 158.98766 125.2
[M-H]- 119.01722 123.8
[M+Na-2H]- 140.99917 128.4
[M]+ 120.02395 124.9
[M]- 120.02505 124.9
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