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: 2923
Patents: 328.05344 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	329.06072	170.4
[M+Na]+	351.04266	182.7
[M+NH4]+	346.08726	177.1
[M+K]+	367.01660	175.6
[M-H]-	327.04616	172.4
[M+Na-2H]-	349.02811	174.3
[M]+	328.05289	173.2
[M]-	328.05399	173.2

Literature stripe

literature stripe

Patent stripe

patents stripe