CID 6445630

1-(2-bromo-4-chlorophenyl)-2-chloroethenyl diethyl phosphate

Structural Information

Molecular Formula
C12H14BrCl2O4P
SMILES
CCOP(=O)(OCC)O/C(=C/Cl)/C1=C(C=C(C=C1)Cl)Br
InChI
InChI=1S/C12H14BrCl2O4P/c1-3-17-20(16,18-4-2)19-12(8-14)10-6-5-9(15)7-11(10)13/h5-8H,3-4H2,1-2H3/b12-8+
InChIKey
AEJMAGKBGHRRKV-XYOKQWHBSA-N
Compound name
[(E)-1-(2-bromo-4-chlorophenyl)-2-chloroethenyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.919 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.92628 180.1
[M+Na]+ 424.90822 193.0
[M-H]- 400.91172 185.3
[M+NH4]+ 419.95282 197.6
[M+K]+ 440.88216 179.3
[M+H-H2O]+ 384.91626 179.3
[M+HCOO]- 446.91720 195.4
[M+CH3COO]- 460.93285 212.8
[M+Na-2H]- 422.89367 181.7
[M]+ 401.91845 207.1
[M]- 401.91955 207.1
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.