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 170.8
[M+Na]+ 390.98754 179.8
[M-H]- 366.99104 173.8
[M+NH4]+ 386.03214 185.8
[M+K]+ 406.96148 176.6
[M+H-H2O]+ 350.99558 164.6
[M+HCOO]- 412.99652 188.5
[M+CH3COO]- 427.01217 210.9
[M+Na-2H]- 388.97299 171.0
[M]+ 367.99777 182.6
[M]- 367.99887 182.6
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.