CID 170610

42136-31-2

Structural Information

Molecular Formula
C12H13Br2Cl2O4P
SMILES
CCOP(=O)(OCC)OC(=C(Br)Br)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H13Br2Cl2O4P/c1-3-18-21(17,19-4-2)20-11(12(13)14)9-6-5-8(15)7-10(9)16/h5-7H,3-4H2,1-2H3
InChIKey
CKESMWXQXWZWKV-UHFFFAOYSA-N
Compound name
[2,2-dibromo-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

479.82953 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.83681 186.9
[M+Na]+ 502.81875 198.6
[M-H]- 478.82225 192.6
[M+NH4]+ 497.86335 202.1
[M+K]+ 518.79269 180.5
[M+H-H2O]+ 462.82679 193.4
[M+HCOO]- 524.82773 196.5
[M+CH3COO]- 538.84338 225.2
[M+Na-2H]- 500.80420 187.2
[M]+ 479.82898 226.3
[M]- 479.83008 226.3
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.