CID 6445633

37913-85-2

Structural Information

Molecular Formula
C10H9Cl4O4P
SMILES
COP(=O)(OC)O/C(=C/Cl)/C1=C(C(=C(C=C1)Cl)Cl)Cl
InChI
InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-8(5-11)6-3-4-7(12)10(14)9(6)13/h3-5H,1-2H3/b8-5+
InChIKey
CKRKMPZQCMAKGJ-VMPITWQZSA-N
Compound name
[(E)-2-chloro-1-(2,3,4-trichlorophenyl)ethenyl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

363.89926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.90654 163.8
[M+Na]+ 386.88848 174.4
[M-H]- 362.89198 164.9
[M+NH4]+ 381.93308 179.0
[M+K]+ 402.86242 169.5
[M+H-H2O]+ 346.89652 159.8
[M+HCOO]- 408.89746 171.4
[M+CH3COO]- 422.91311 210.1
[M+Na-2H]- 384.87393 163.4
[M]+ 363.89871 172.0
[M]- 363.89981 172.0
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

patents stripe