CID 22724594

O,o,o-triphenyl stiborothioate

Structural Information

Molecular Formula
C18H15O3SSb
SMILES
C1=CC=C(C=C1)O[Sb](=S)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/3C6H6O.S.Sb/c3*7-6-4-2-1-3-5-6;;/h3*1-5,7H;;/q;;;;+3/p-3
InChIKey
KKEMIWABSCXSLG-UHFFFAOYSA-K
Compound name
triphenoxy(sulfanylidene)-lambda5-stibane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

431.978 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.985276 194.9
[M+Na]+ 454.967218 200.6
[M-H]- 430.970724 203.3
[M+NH4]+ 450.011823 207.3
[M+K]+ 470.941158 195.1
[M+H-H2O]+ 414.975260 184.8
[M+HCOO]- 476.976201 212.0
[M+CH3COO]- 490.991851 206.5
[M+Na-2H]- 452.952666 198.5
[M]+ 431.97745142 197.9
[M]- 431.97854858 197.9
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