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

85555
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

literature stripe

Patent stripe

patents stripe