CID 588992

3-phenylthiane,s,s-dioxide

Structural Information

Molecular Formula
C11H14O2S
SMILES
C1CC(CS(=O)(=O)C1)C2=CC=CC=C2
InChI
InChI=1S/C11H14O2S/c12-14(13)8-4-7-11(9-14)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKey
XKCGFOMTBPFTCD-UHFFFAOYSA-N
Compound name
3-phenylthiane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

210.07146 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.078736 142.9
[M+Na]+ 233.060678 150.3
[M-H]- 209.064184 149.5
[M+NH4]+ 228.105283 163.9
[M+K]+ 249.034618 147.1
[M+H-H2O]+ 193.068720 137.0
[M+HCOO]- 255.069661 159.7
[M+CH3COO]- 269.085311 181.0
[M+Na-2H]- 231.046126 147.1
[M]+ 210.07091142 141.2
[M]- 210.07200858 141.2
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

patents stripe