CID 370303

Nsc643158

Structural Information

Molecular Formula
C12H19O5PS
SMILES
CCOC(=O)C(C1=CSC=C1)P(=O)(OCC)OCC
InChI
InChI=1S/C12H19O5PS/c1-4-15-12(13)11(10-7-8-19-9-10)18(14,16-5-2)17-6-3/h7-9,11H,4-6H2,1-3H3
InChIKey
YHJVOYLCNBGMIZ-UHFFFAOYSA-N
Compound name
ethyl 2-diethoxyphosphoryl-2-thiophen-3-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0691 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07638 170.0
[M+Na]+ 329.05832 175.3
[M-H]- 305.06182 172.2
[M+NH4]+ 324.10292 187.4
[M+K]+ 345.03226 174.9
[M+H-H2O]+ 289.06636 161.5
[M+HCOO]- 351.06730 192.4
[M+CH3COO]- 365.08295 200.7
[M+Na-2H]- 327.04377 167.1
[M]+ 306.06855 179.0
[M]- 306.06965 179.0
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.