CID 3045608

Brn 2012800

Structural Information

Molecular Formula
C12H13BrCl3O4P
SMILES
CCOP(=O)(OCC)O/C(=C(/Cl)\Br)/C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H13BrCl3O4P/c1-3-18-21(17,19-4-2)20-11(12(13)16)9-6-5-8(14)7-10(9)15/h5-7H,3-4H2,1-2H3/b12-11+
InChIKey
BTMMEKAHNQUEDL-VAWYXSNFSA-N
Compound name
[(Z)-2-bromo-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.88004 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.88732 180.9
[M+Na]+ 458.86926 193.8
[M-H]- 434.87276 185.5
[M+NH4]+ 453.91386 197.3
[M+K]+ 474.84320 179.8
[M+H-H2O]+ 418.87730 181.0
[M+HCOO]- 480.87824 190.4
[M+CH3COO]- 494.89389 217.8
[M+Na-2H]- 456.85471 181.2
[M]+ 435.87949 207.0
[M]- 435.88059 207.0
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.