CID 32779

25056-70-6

Structural Information

Molecular Formula
C10H6Cl6O3
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)OCCOC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C10H6Cl6O3/c11-5-3-7(13)8(4-6(5)12)18-1-2-19-9(17)10(14,15)16/h3-4H,1-2H2
InChIKey
FFRUQSUMDFNBLG-UHFFFAOYSA-N
Compound name
2-(2,4,5-trichlorophenoxy)ethyl 2,2,2-trichloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

879
Patents

383.84482 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.85210 175.0
[M+Na]+ 406.83404 182.8
[M-H]- 382.83754 172.0
[M+NH4]+ 401.87864 186.4
[M+K]+ 422.80798 179.0
[M+H-H2O]+ 366.84208 173.0
[M+HCOO]- 428.84302 166.1
[M+CH3COO]- 442.85867 213.9
[M+Na-2H]- 404.81949 172.8
[M]+ 383.84427 175.7
[M]- 383.84537 175.7
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

patents stripe