CID 5380653

Nsc 102263

Structural Information

Molecular Formula
C16H23O5P
SMILES
CCOC(=O)/C(=C\C1=CC=C(C=C1)C)/P(=O)(OCC)OCC
InChI
InChI=1S/C16H23O5P/c1-5-19-16(17)15(22(18,20-6-2)21-7-3)12-14-10-8-13(4)9-11-14/h8-12H,5-7H2,1-4H3/b15-12+
InChIKey
JGCLOKQRUSPYRU-NTCAYCPXSA-N
Compound name
ethyl (E)-2-diethoxyphosphoryl-3-(4-methylphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1283 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13558 178.1
[M+Na]+ 349.11752 183.5
[M-H]- 325.12102 180.0
[M+NH4]+ 344.16212 192.8
[M+K]+ 365.09146 182.3
[M+H-H2O]+ 309.12556 169.1
[M+HCOO]- 371.12650 203.6
[M+CH3COO]- 385.14215 208.7
[M+Na-2H]- 347.10297 177.1
[M]+ 326.12775 185.7
[M]- 326.12885 185.7
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.