CID 99441

73806-36-7

Structural Information

Molecular Formula
C12H10Cl5O4P
SMILES
C=CCOP(=O)(C1(C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl)Cl)OCC=C
InChI
InChI=1S/C12H10Cl5O4P/c1-3-5-20-22(19,21-6-4-2)12(17)10(15)7(13)9(18)8(14)11(12)16/h3-4H,1-2,5-6H2
InChIKey
YBBBPNIHQYSADG-UHFFFAOYSA-N
Compound name
4-bis(prop-2-enoxy)phosphoryl-2,3,4,5,6-pentachlorocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.87595 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.88323 174.1
[M+Na]+ 446.86517 184.9
[M-H]- 422.86867 173.6
[M+NH4]+ 441.90977 188.3
[M+K]+ 462.83911 178.9
[M+H-H2O]+ 406.87321 171.9
[M+HCOO]- 468.87415 175.5
[M+CH3COO]- 482.88980 221.0
[M+Na-2H]- 444.85062 172.1
[M]+ 423.87540 179.5
[M]- 423.87650 179.5
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.