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
6
Annotation Hits

115
References

85661
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 119.9
[M+Na]+ 143.01372 128.9
[M-H]- 119.01722 124.0
[M+NH4]+ 138.05832 146.5
[M+K]+ 158.98766 128.1
[M+H-H2O]+ 103.02176 116.3
[M+HCOO]- 165.02270 139.4
[M+CH3COO]- 179.03835 163.0
[M+Na-2H]- 140.99917 124.2
[M]+ 120.02395 120.0
[M]- 120.02505 120.0
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.