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 159.3
[M+Na]+ 372.87282 169.9
[M-H]- 348.87632 159.3
[M+NH4]+ 367.91742 174.3
[M+K]+ 388.84676 164.4
[M+H-H2O]+ 332.88086 155.9
[M+HCOO]- 394.88180 165.8
[M+CH3COO]- 408.89745 205.2
[M+Na-2H]- 370.85827 159.0
[M]+ 349.88305 165.4
[M]- 349.88415 165.4
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.