CID 78647

4935-28-8

Structural Information

Molecular Formula
C13H15O5PS
SMILES
CCOP(=S)(OCC)OC1=CC2=CC=CC=C2OC1=O
InChI
InChI=1S/C13H15O5PS/c1-3-15-19(20,16-4-2)18-12-9-10-7-5-6-8-11(10)17-13(12)14/h5-9H,3-4H2,1-2H3
InChIKey
LWRAXFXWIOKUAY-UHFFFAOYSA-N
Compound name
3-diethoxyphosphinothioyloxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.03778 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04506 165.9
[M+Na]+ 337.02700 178.0
[M+NH4]+ 332.07160 172.7
[M+K]+ 353.00094 170.9
[M-H]- 313.03050 167.8
[M+Na-2H]- 335.01245 170.2
[M]+ 314.03723 168.6
[M]- 314.03833 168.6
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.