CID 217227

38331-02-1

Structural Information

Molecular Formula
C12H15Cl2O4P
SMILES
CCOP(=O)(OCC)OC(=C)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H15Cl2O4P/c1-4-16-19(15,17-5-2)18-9(3)11-7-6-10(13)8-12(11)14/h6-8H,3-5H2,1-2H3
InChIKey
IZLGBMLXOOGJMU-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)ethenyl diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

324.0085 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.01578 164.9
[M+Na]+ 346.99772 174.3
[M-H]- 323.00122 167.6
[M+NH4]+ 342.04232 181.6
[M+K]+ 362.97166 170.0
[M+H-H2O]+ 307.00576 158.7
[M+HCOO]- 369.00670 182.9
[M+CH3COO]- 383.02235 205.3
[M+Na-2H]- 344.98317 165.8
[M]+ 324.00795 174.7
[M]- 324.00905 174.7
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

patents stripe