CID 12240759

2-phenyl-1lambda6-thiolane-1,1-dione

Structural Information

Molecular Formula
C10H12O2S
SMILES
C1CC(S(=O)(=O)C1)C2=CC=CC=C2
InChI
InChI=1S/C10H12O2S/c11-13(12)8-4-7-10(13)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey
NDYAPPXHTKCHLG-UHFFFAOYSA-N
Compound name
2-phenylthiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

196.0558 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06308 139.8
[M+Na]+ 219.04502 148.9
[M-H]- 195.04852 147.1
[M+NH4]+ 214.08962 163.5
[M+K]+ 235.01896 145.9
[M+H-H2O]+ 179.05306 134.8
[M+HCOO]- 241.05400 159.3
[M+CH3COO]- 255.06965 177.6
[M+Na-2H]- 217.03047 143.0
[M]+ 196.05525 140.2
[M]- 196.05635 140.2
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