CID 3054551

71363-61-6

Structural Information

Molecular Formula
C12H13Cl4O4P
SMILES
CCOP(=O)(OC=C)OC(CCl)C1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C12H13Cl4O4P/c1-3-18-21(17,19-4-2)20-12(7-13)8-5-10(15)11(16)6-9(8)14/h3,5-6,12H,1,4,7H2,2H3
InChIKey
WUDYDKJSTAKBCJ-UHFFFAOYSA-N
Compound name
[2-chloro-1-(2,4,5-trichlorophenyl)ethyl] ethenyl ethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.93054 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.93782 172.7
[M+Na]+ 414.91976 182.5
[M-H]- 390.92326 173.5
[M+NH4]+ 409.96436 186.8
[M+K]+ 430.89370 177.1
[M+H-H2O]+ 374.92780 168.3
[M+HCOO]- 436.92874 179.7
[M+CH3COO]- 450.94439 216.1
[M+Na-2H]- 412.90521 171.4
[M]+ 391.92999 181.7
[M]- 391.93109 181.7
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

No patent data available for this compound.