CID 5388586

Nsc637160

Structural Information

Molecular Formula
C15H20ClO5P
SMILES
CCOC(=O)/C(=C\C1=CC=CC=C1Cl)/P(=O)(OCC)OCC
InChI
InChI=1S/C15H20ClO5P/c1-4-19-15(17)14(22(18,20-5-2)21-6-3)11-12-9-7-8-10-13(12)16/h7-11H,4-6H2,1-3H3/b14-11+
InChIKey
LBNOGAOWELCLMX-SDNWHVSQSA-N
Compound name
ethyl (E)-3-(2-chlorophenyl)-2-diethoxyphosphorylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0737 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08098 176.9
[M+Na]+ 369.06292 183.7
[M-H]- 345.06642 179.3
[M+NH4]+ 364.10752 191.9
[M+K]+ 385.03686 180.7
[M+H-H2O]+ 329.07096 169.1
[M+HCOO]- 391.07190 198.5
[M+CH3COO]- 405.08755 209.3
[M+Na-2H]- 367.04837 176.4
[M]+ 346.07315 186.3
[M]- 346.07425 186.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.