CID 199077

Brn 1967478

Structural Information

Molecular Formula
C11H14O3S
SMILES
CCC1(COS(=O)OC1)C2=CC=CC=C2
InChI
InChI=1S/C11H14O3S/c1-2-11(8-13-15(12)14-9-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
TWHCKQVNTIYKSJ-UHFFFAOYSA-N
Compound name
5-ethyl-5-phenyl-1,3,2-dioxathiane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.06636 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07364 146.2
[M+Na]+ 249.05558 159.3
[M+NH4]+ 244.10018 156.8
[M+K]+ 265.02952 149.5
[M-H]- 225.05908 152.9
[M+Na-2H]- 247.04103 154.3
[M]+ 226.06581 150.7
[M]- 226.06691 150.7
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.