CID 6913716

Phosphoric acid, mono(2-chloro-1-(2,4,5-trichlorophenyl)vinyl) monomethyl ester, sodium salt

Structural Information

Molecular Formula
C9H7Cl4O4P
SMILES
COP(=O)(O)O/C(=C\Cl)/C1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H7Cl4O4P/c1-16-18(14,15)17-9(4-10)5-2-7(12)8(13)3-6(5)11/h2-4H,1H3,(H,14,15)/b9-4-
InChIKey
BXAFHKWXIDWGCC-WTKPLQERSA-N
Compound name
[(Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.8836 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.89088 166.5
[M+Na]+ 372.87282 178.8
[M+NH4]+ 367.91742 172.4
[M+K]+ 388.84676 173.0
[M-H]- 348.87632 164.9
[M+Na-2H]- 370.85827 170.1
[M]+ 349.88305 168.7
[M]- 349.88415 168.7
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.