CID 214111

27704-46-7

Structural Information

Molecular Formula
C10H9Cl4O4P
SMILES
COP(=O)(OC)OC(=C(Cl)Cl)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-9(10(13)14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3
InChIKey
HKVABTLWYHNNBA-UHFFFAOYSA-N
Compound name
[2,2-dichloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.89926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.90654 162.7
[M+Na]+ 386.88848 172.3
[M-H]- 362.89198 163.7
[M+NH4]+ 381.93308 177.6
[M+K]+ 402.86242 167.7
[M+H-H2O]+ 346.89652 158.7
[M+HCOO]- 408.89746 169.6
[M+CH3COO]- 422.91311 209.8
[M+Na-2H]- 384.87393 162.0
[M]+ 363.89871 170.2
[M]- 363.89981 170.2
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

patents stripe