CID 6858108

Phosphorothioic acid, o,o-bis(methylphenyl) ester, sodium salt

Structural Information

Molecular Formula
C14H15O3PS
SMILES
C1=CC=C(C=C1)COP(=S)(O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H15O3PS/c15-18(19,16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,19)
InChIKey
UJNIHVUATSNKCB-UHFFFAOYSA-N
Compound name
hydroxy-bis(phenylmethoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

294.04794 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05522 163.5
[M+Na]+ 317.03716 175.8
[M+NH4]+ 312.08176 171.3
[M+K]+ 333.01110 167.2
[M-H]- 293.04066 166.5
[M+Na-2H]- 315.02261 171.6
[M]+ 294.04739 166.5
[M]- 294.04849 166.5
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

patents stripe