CID 207917

Peroxypivalic acid, dithio-, s-phenyl ester

Structural Information

Molecular Formula
C11H14OS2
SMILES
CC(C)(C)C(=O)SSC1=CC=CC=C1
InChI
InChI=1S/C11H14OS2/c1-11(2,3)10(12)14-13-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
ZCSABEXZBWHTGO-UHFFFAOYSA-N
Compound name
S-phenylsulfanyl 2,2-dimethylpropanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04861 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05589 148.6
[M+Na]+ 249.03783 155.8
[M-H]- 225.04133 151.9
[M+NH4]+ 244.08243 167.5
[M+K]+ 265.01177 151.7
[M+H-H2O]+ 209.04587 142.8
[M+HCOO]- 271.04681 159.3
[M+CH3COO]- 285.06246 187.0
[M+Na-2H]- 247.02328 149.7
[M]+ 226.04806 151.5
[M]- 226.04916 151.5
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.