CID 5931123

Triethylfurfurylidene phosphono acetate

Structural Information

Molecular Formula
C13H19O6P
SMILES
CCOC(=O)/C(=C\C1=CC=CO1)/P(=O)(OCC)OCC
InChI
InChI=1S/C13H19O6P/c1-4-16-13(14)12(10-11-8-7-9-17-11)20(15,18-5-2)19-6-3/h7-10H,4-6H2,1-3H3/b12-10+
InChIKey
PCFIESHBNVKORO-ZRDIBKRKSA-N
Compound name
ethyl (E)-2-diethoxyphosphoryl-3-(furan-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

302.09192 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09920 170.8
[M+Na]+ 325.08114 176.2
[M-H]- 301.08464 173.4
[M+NH4]+ 320.12574 186.5
[M+K]+ 341.05508 177.2
[M+H-H2O]+ 285.08918 162.6
[M+HCOO]- 347.09012 197.3
[M+CH3COO]- 361.10577 200.6
[M+Na-2H]- 323.06659 171.1
[M]+ 302.09137 179.4
[M]- 302.09247 179.4
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

patents stripe