CID 9578525

Staufffer r 15201

Structural Information

Molecular Formula
C14H20NO5PS
SMILES
CCOP(=S)(OCC)OC1=CC=C(C=C1)/C(=N/OC(=O)C)/C
InChI
InChI=1S/C14H20NO5PS/c1-5-17-21(22,18-6-2)20-14-9-7-13(8-10-14)11(3)15-19-12(4)16/h7-10H,5-6H2,1-4H3/b15-11+
InChIKey
UAWDREWNPDPXJB-RVDMUPIBSA-N
Compound name
[(E)-1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.08 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08728 176.9
[M+Na]+ 368.06922 181.9
[M-H]- 344.07272 180.3
[M+NH4]+ 363.11382 191.4
[M+K]+ 384.04316 181.0
[M+H-H2O]+ 328.07726 166.9
[M+HCOO]- 390.07820 200.6
[M+CH3COO]- 404.09385 213.8
[M+Na-2H]- 366.05467 175.6
[M]+ 345.07945 186.4
[M]- 345.08055 186.4
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.