CID 56911

95478-10-7

Structural Information

Molecular Formula
C9H10O2S2
SMILES
C1CS(=O)C(S1=O)C2=CC=CC=C2
InChI
InChI=1S/C9H10O2S2/c10-12-6-7-13(11)9(12)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
KJSUZGMJMPKXGP-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-dithiolane 1,3-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.01222 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01950 142.6
[M+Na]+ 237.00144 152.4
[M-H]- 213.00494 149.8
[M+NH4]+ 232.04604 164.0
[M+K]+ 252.97538 148.1
[M+H-H2O]+ 197.00948 137.6
[M+HCOO]- 259.01042 156.7
[M+CH3COO]- 273.02607 156.1
[M+Na-2H]- 234.98689 142.2
[M]+ 214.01167 143.7
[M]- 214.01277 143.7
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.