CID 92304

Phosdiphen

Structural Information

Molecular Formula
C14H11Cl4O4P
SMILES
CCOP(=O)(OC1=C(C=C(C=C1)Cl)Cl)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl4O4P/c1-2-20-23(19,21-13-5-3-9(15)7-11(13)17)22-14-6-4-10(16)8-12(14)18/h3-8H,2H2,1H3
InChIKey
HEMINMLPKZELPP-UHFFFAOYSA-N
Compound name
bis(2,4-dichlorophenyl) ethyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11257
Patents

413.91492 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.92220 178.1
[M+Na]+ 436.90414 188.9
[M-H]- 412.90764 181.8
[M+NH4]+ 431.94874 191.2
[M+K]+ 452.87808 183.6
[M+H-H2O]+ 396.91218 171.7
[M+HCOO]- 458.91312 186.1
[M+CH3COO]- 472.92877 218.8
[M+Na-2H]- 434.88959 177.9
[M]+ 413.91437 187.1
[M]- 413.91547 187.1
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.