CID 205583

Brn 2510446

Structural Information

Molecular Formula
C10H9Cl6O3P
SMILES
C1=CC=C(C=C1)P(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C10H9Cl6O3P/c11-9(12,13)6-18-20(17,19-7-10(14,15)16)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
XOYBZBPRFHXGFZ-UHFFFAOYSA-N
Compound name
bis(2,2,2-trichloroethoxy)phosphorylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

417.84204 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.84932 184.4
[M+Na]+ 440.83126 191.0
[M-H]- 416.83476 181.3
[M+NH4]+ 435.87586 195.0
[M+K]+ 456.80520 186.9
[M+H-H2O]+ 400.83930 179.7
[M+HCOO]- 462.84024 178.1
[M+CH3COO]- 476.85589 216.8
[M+Na-2H]- 438.81671 184.1
[M]+ 417.84149 185.1
[M]- 417.84259 185.1
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

patents stripe