CID 3056727

73826-29-6

Structural Information

Molecular Formula
C17H12Cl4O4
SMILES
CC(C(=O)OCC(=O)C1=CC=C(C=C1)Cl)OC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C17H12Cl4O4/c1-9(25-16-7-13(20)12(19)6-14(16)21)17(23)24-8-15(22)10-2-4-11(18)5-3-10/h2-7,9H,8H2,1H3
InChIKey
IXAJFBGKZITPMV-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.94897 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.95625 180.2
[M+Na]+ 442.93819 189.3
[M-H]- 418.94169 184.2
[M+NH4]+ 437.98279 192.1
[M+K]+ 458.91213 183.9
[M+H-H2O]+ 402.94623 176.0
[M+HCOO]- 464.94717 181.8
[M+CH3COO]- 478.96282 221.2
[M+Na-2H]- 440.92364 177.9
[M]+ 419.94842 187.7
[M]- 419.94952 187.7
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

No patent data available for this compound.