CID 582048

Bis(4-chlorophenyl) hydrogen phosphate

Structural Information

Molecular Formula
C12H9Cl2O4P
SMILES
C1=CC(=CC=C1OP(=O)(O)OC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H9Cl2O4P/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H,(H,15,16)
InChIKey
PLDCKYUUCIJIKY-UHFFFAOYSA-N
Compound name
bis(4-chlorophenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

317.96155 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.96883 161.2
[M+Na]+ 340.95077 171.2
[M-H]- 316.95427 165.8
[M+NH4]+ 335.99537 177.0
[M+K]+ 356.92471 166.1
[M+H-H2O]+ 300.95881 153.9
[M+HCOO]- 362.95975 179.7
[M+CH3COO]- 376.97540 198.8
[M+Na-2H]- 338.93622 164.8
[M]+ 317.96100 167.7
[M]- 317.96210 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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