CID 206713

28519-31-5

Structural Information

Molecular Formula
C11H16O2S2
SMILES
CCC(C)OS(=O)(=S)C1=CC=C(C=C1)C
InChI
InChI=1S/C11H16O2S2/c1-4-10(3)13-15(12,14)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
InChIKey
SWSLFIWCSJJESK-UHFFFAOYSA-N
Compound name
butan-2-yloxy-(4-methylphenyl)-oxo-sulfanylidene-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.05917 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06645 151.4
[M+Na]+ 267.04839 159.2
[M-H]- 243.05189 154.9
[M+NH4]+ 262.09299 169.6
[M+K]+ 283.02233 154.9
[M+H-H2O]+ 227.05643 145.6
[M+HCOO]- 289.05737 162.4
[M+CH3COO]- 303.07302 190.6
[M+Na-2H]- 265.03384 152.1
[M]+ 244.05862 155.6
[M]- 244.05972 155.6
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.