CID 6434808

63992-57-4

Structural Information

Molecular Formula
C15H21O6P
SMILES
CCOP(=O)(OCC)O/C(=C\C(=O)OCC1=CC=CC=C1)/C
InChI
InChI=1S/C15H21O6P/c1-4-19-22(17,20-5-2)21-13(3)11-15(16)18-12-14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3/b13-11-
InChIKey
LQGAGBBSOPQMNO-QBFSEMIESA-N
Compound name
benzyl (Z)-3-diethoxyphosphoryloxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10757 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11485 176.8
[M+Na]+ 351.09679 181.4
[M-H]- 327.10029 178.4
[M+NH4]+ 346.14139 190.9
[M+K]+ 367.07073 181.0
[M+H-H2O]+ 311.10483 167.3
[M+HCOO]- 373.10577 202.8
[M+CH3COO]- 387.12142 206.6
[M+Na-2H]- 349.08224 177.0
[M]+ 328.10702 184.9
[M]- 328.10812 184.9
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.