CID 3053243

Cis-3,4-dibenzyloxysulfolane

Structural Information

Molecular Formula
C18H20O4S
SMILES
C1[C@H]([C@H](CS1(=O)=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C18H20O4S/c19-23(20)13-17(21-11-15-7-3-1-4-8-15)18(14-23)22-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+
InChIKey
BXCAAKYFUXHZHD-HDICACEKSA-N
Compound name
(3S,4R)-3,4-bis(phenylmethoxy)thiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.10822 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11550 176.7
[M+Na]+ 355.09744 184.2
[M-H]- 331.10094 186.5
[M+NH4]+ 350.14204 194.4
[M+K]+ 371.07138 180.0
[M+H-H2O]+ 315.10548 169.3
[M+HCOO]- 377.10642 195.4
[M+CH3COO]- 391.12207 202.6
[M+Na-2H]- 353.08289 177.8
[M]+ 332.10767 180.4
[M]- 332.10877 180.4
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

No patent data available for this compound.