CID 103572

2-chloro-1-(2,4,5-trichlorophenyl)ethenyl ethyl methyl phosphate

Structural Information

Molecular Formula
C11H11Cl4O4P
SMILES
CCOP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C11H11Cl4O4P/c1-3-18-20(16,17-2)19-11(6-12)7-4-9(14)10(15)5-8(7)13/h4-6H,3H2,1-2H3
InChIKey
OMKXXOFVSVRWQO-UHFFFAOYSA-N
Compound name
[2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] ethyl methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.91492 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.92220 168.4
[M+Na]+ 400.90414 178.6
[M-H]- 376.90764 169.3
[M+NH4]+ 395.94874 183.1
[M+K]+ 416.87808 173.5
[M+H-H2O]+ 360.91218 164.2
[M+HCOO]- 422.91312 175.7
[M+CH3COO]- 436.92877 212.8
[M+Na-2H]- 398.88959 167.5
[M]+ 377.91437 176.9
[M]- 377.91547 176.9
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.