CID 6434114

32425-90-4

Structural Information

Molecular Formula
C13H15Cl2O6P
SMILES
C/C(=C\C(=O)OCC1=C(C=C(C=C1)Cl)Cl)/OP(=O)(OC)OC
InChI
InChI=1S/C13H15Cl2O6P/c1-9(21-22(17,18-2)19-3)6-13(16)20-8-10-4-5-11(14)7-12(10)15/h4-7H,8H2,1-3H3/b9-6+
InChIKey
DEMKRNKUPDXQOP-RMKNXTFCSA-N
Compound name
(2,4-dichlorophenyl)methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.99832 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.00560 173.4
[M+Na]+ 390.98754 184.1
[M+NH4]+ 386.03214 178.1
[M+K]+ 406.96148 180.0
[M-H]- 366.99104 171.4
[M+Na-2H]- 388.97299 176.3
[M]+ 367.99777 174.6
[M]- 367.99887 174.6
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.