CID 298825

Nsc171160

Structural Information

Molecular Formula
C13H19O2PS
SMILES
CC(C)(C)C1COP(=S)(OC1)C2=CC=CC=C2
InChI
InChI=1S/C13H19O2PS/c1-13(2,3)11-9-14-16(17,15-10-11)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKey
SXMIQOVPKXRIKY-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-phenyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.08435 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09163 159.9
[M+Na]+ 293.07357 166.2
[M-H]- 269.07707 166.4
[M+NH4]+ 288.11817 176.7
[M+K]+ 309.04751 165.8
[M+H-H2O]+ 253.08161 151.6
[M+HCOO]- 315.08255 178.4
[M+CH3COO]- 329.09820 194.5
[M+Na-2H]- 291.05902 162.1
[M]+ 270.08380 160.9
[M]- 270.08490 160.9
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.