CID 134516

General chemicals 3582

Structural Information

Molecular Formula
C12H13Cl4O4P
SMILES
CCOP(=O)(OCC)OC(=C(Cl)Cl)C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C12H13Cl4O4P/c1-3-18-21(17,19-4-2)20-11(12(15)16)8-5-9(13)7-10(14)6-8/h5-7H,3-4H2,1-2H3
InChIKey
YMDBQHQOQJAEAD-UHFFFAOYSA-N
Compound name
[2,2-dichloro-1-(3,5-dichlorophenyl)ethenyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.93054 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.93782 171.8
[M+Na]+ 414.91976 180.7
[M-H]- 390.92326 172.5
[M+NH4]+ 409.96436 185.7
[M+K]+ 430.89370 175.7
[M+H-H2O]+ 374.92780 167.5
[M+HCOO]- 436.92874 178.1
[M+CH3COO]- 450.94439 215.2
[M+Na-2H]- 412.90521 170.2
[M]+ 391.92999 180.0
[M]- 391.93109 180.0
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.