CID 10496498

Potasan

Structural Information

Molecular Formula
C14H17O5PS
SMILES
CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI
InChI=1S/C14H17O5PS/c1-4-16-20(21,17-5-2)19-11-6-7-12-10(3)8-14(15)18-13(12)9-11/h6-9H,4-5H2,1-3H3
InChIKey
KNIUHBNRWZGIQQ-UHFFFAOYSA-N
Compound name
7-diethoxyphosphinothioyloxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2925
Patents

328.05344 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06072 170.6
[M+Na]+ 351.04266 179.5
[M-H]- 327.04616 175.1
[M+NH4]+ 346.08726 185.8
[M+K]+ 367.01660 178.2
[M+H-H2O]+ 311.05070 161.5
[M+HCOO]- 373.05164 192.7
[M+CH3COO]- 387.06729 207.2
[M+Na-2H]- 349.02811 173.1
[M]+ 328.05289 181.0
[M]- 328.05399 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe