CID 79901

5826-85-7

Structural Information

Molecular Formula
C12H13O5PS
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OP(=S)(OC)OC
InChI
InChI=1S/C12H13O5PS/c1-8-6-12(13)16-11-7-9(4-5-10(8)11)17-18(19,14-2)15-3/h4-7H,1-3H3
InChIKey
XOYJOEBNPYQZSW-UHFFFAOYSA-N
Compound name
7-dimethoxyphosphinothioyloxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.02213 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.02941 161.7
[M+Na]+ 323.01135 174.4
[M+NH4]+ 318.05595 168.8
[M+K]+ 338.98529 167.8
[M-H]- 299.01485 163.8
[M+Na-2H]- 320.99680 166.0
[M]+ 300.02158 164.6
[M]- 300.02268 164.6
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.