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
2
Annotation Hits

0
References

54
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 164.8
[M+Na]+ 317.03716 170.9
[M-H]- 293.04066 168.7
[M+NH4]+ 312.08176 180.0
[M+K]+ 333.01110 166.7
[M+H-H2O]+ 277.04520 155.1
[M+HCOO]- 339.04614 187.4
[M+CH3COO]- 353.06179 195.8
[M+Na-2H]- 315.02261 166.5
[M]+ 294.04739 168.0
[M]- 294.04849 168.0
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