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

18
Patents

363.89926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.906536 163.8
[M+Na]+ 386.888478 174.4
[M-H]- 362.891984 164.9
[M+NH4]+ 381.933083 179.0
[M+K]+ 402.862418 169.5
[M+H-H2O]+ 346.896520 159.8
[M+HCOO]- 408.897461 171.4
[M+CH3COO]- 422.913111 210.1
[M+Na-2H]- 384.873926 163.4
[M]+ 363.89871142 172.0
[M]- 363.89980858 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