CID 6434014

Sd 7779

Structural Information

Molecular Formula
C16H23O6P
SMILES
CCOP(=O)(OCC)O/C(=C\C(=O)OC(C)C1=CC=CC=C1)/C
InChI
InChI=1S/C16H23O6P/c1-5-19-23(18,20-6-2)22-13(3)12-16(17)21-14(4)15-10-8-7-9-11-15/h7-12,14H,5-6H2,1-4H3/b13-12-
InChIKey
XBMYITJFLVDXEE-SEYXRHQNSA-N
Compound name
1-phenylethyl (Z)-3-diethoxyphosphoryloxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12323 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13051 181.1
[M+Na]+ 365.11245 185.0
[M-H]- 341.11595 182.6
[M+NH4]+ 360.15705 194.5
[M+K]+ 381.08639 185.0
[M+H-H2O]+ 325.12049 171.6
[M+HCOO]- 387.12143 205.8
[M+CH3COO]- 401.13708 210.4
[M+Na-2H]- 363.09790 179.7
[M]+ 342.12268 188.9
[M]- 342.12378 188.9
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.