CID 5375637

Nsc636385

Structural Information

Molecular Formula
C15H20FO5P
SMILES
CCOC(=O)/C(=C/C1=CC(=CC=C1)F)/P(=O)(OCC)OCC
InChI
InChI=1S/C15H20FO5P/c1-4-19-15(17)14(22(18,20-5-2)21-6-3)11-12-8-7-9-13(16)10-12/h7-11H,4-6H2,1-3H3/b14-11-
InChIKey
KLTWUFHAMQLNGS-KAMYIIQDSA-N
Compound name
ethyl (Z)-2-diethoxyphosphoryl-3-(3-fluorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.10324 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11052 176.4
[M+Na]+ 353.09246 182.2
[M-H]- 329.09596 177.0
[M+NH4]+ 348.13706 190.8
[M+K]+ 369.06640 180.8
[M+H-H2O]+ 313.10050 166.5
[M+HCOO]- 375.10144 201.2
[M+CH3COO]- 389.11709 208.4
[M+Na-2H]- 351.07791 175.2
[M]+ 330.10269 182.4
[M]- 330.10379 182.4
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.