CID 206740

Phosphonic acid, tolyl-, bis(2,2,2-trichloroethyl)-

Structural Information

Molecular Formula
C11H11Cl6O3P
SMILES
CC1=CC=CC=C1P(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C11H11Cl6O3P/c1-8-4-2-3-5-9(8)21(18,19-6-10(12,13)14)20-7-11(15,16)17/h2-5H,6-7H2,1H3
InChIKey
VLHHFOJEUPVXDS-UHFFFAOYSA-N
Compound name
1-[bis(2,2,2-trichloroethoxy)phosphoryl]-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.8577 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.86498 188.0
[M+Na]+ 454.84692 195.0
[M-H]- 430.85042 185.1
[M+NH4]+ 449.89152 198.4
[M+K]+ 470.82086 190.8
[M+H-H2O]+ 414.85496 183.5
[M+HCOO]- 476.85590 181.4
[M+CH3COO]- 490.87155 220.1
[M+Na-2H]- 452.83237 186.8
[M]+ 431.85715 189.3
[M]- 431.85825 189.3
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.