CID 3039063

2,2-dibromo-1-(2,4-dichlorophenyl)ethenyl dimethyl phosphate

Structural Information

Molecular Formula
C10H9Br2Cl2O4P
SMILES
COP(=O)(OC)OC(=C(Br)Br)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H9Br2Cl2O4P/c1-16-19(15,17-2)18-9(10(11)12)7-4-3-6(13)5-8(7)14/h3-5H,1-2H3
InChIKey
XEOXPHGEHSMDRN-UHFFFAOYSA-N
Compound name
[2,2-dibromo-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.79822 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.80550 178.4
[M+Na]+ 474.78744 190.8
[M-H]- 450.79094 184.4
[M+NH4]+ 469.83204 194.5
[M+K]+ 490.76138 173.1
[M+H-H2O]+ 434.79548 185.3
[M+HCOO]- 496.79642 188.6
[M+CH3COO]- 510.81207 220.9
[M+Na-2H]- 472.77289 179.7
[M]+ 451.79767 217.4
[M]- 451.79877 217.4
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.