CID 25704

[2-bromo-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate

Structural Information

Molecular Formula
C10H10BrCl2O4P
SMILES
COP(=O)(OC)OC(=CBr)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H10BrCl2O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3
InChIKey
LOOAGTDYKNUDBZ-UHFFFAOYSA-N
Compound name
[2-bromo-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

9
Patents

373.8877 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.89498 166.4
[M+Na]+ 396.87692 169.7
[M+NH4]+ 391.92152 169.5
[M+K]+ 412.85086 169.9
[M-H]- 372.88042 164.7
[M+Na-2H]- 394.86237 168.0
[M]+ 373.88715 165.6
[M]- 373.88825 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.