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: 10338
Patents: 413.91492 Da
Monoisotopic Mass: 6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe