CID 217126

Ethyl phenyl 2,4,6-trichlorophenyl phosphate

Structural Information

Molecular Formula
C14H12Cl3O4P
SMILES
CCOP(=O)(OC1=CC=CC=C1)OC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C14H12Cl3O4P/c1-2-19-22(18,20-11-6-4-3-5-7-11)21-14-12(16)8-10(15)9-13(14)17/h3-9H,2H2,1H3
InChIKey
MOHMQGLVGUGERE-UHFFFAOYSA-N
Compound name
ethyl phenyl (2,4,6-trichlorophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.9539 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.96118 173.9
[M+Na]+ 402.94312 184.4
[M-H]- 378.94662 178.9
[M+NH4]+ 397.98772 188.4
[M+K]+ 418.91706 179.1
[M+H-H2O]+ 362.95116 166.7
[M+HCOO]- 424.95210 187.7
[M+CH3COO]- 438.96775 212.9
[M+Na-2H]- 400.92857 175.5
[M]+ 379.95335 183.6
[M]- 379.95445 183.6
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.