CID 20326

Ethoxychlor

Structural Information

Molecular Formula
C18H19Cl3O2
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(Cl)(Cl)Cl
InChI
InChI=1S/C18H19Cl3O2/c1-3-22-15-9-5-13(6-10-15)17(18(19,20)21)14-7-11-16(12-8-14)23-4-2/h5-12,17H,3-4H2,1-2H3
InChIKey
RMWNXWAWVFPXNO-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

372.04507 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.05235 181.7
[M+Na]+ 395.03429 189.7
[M-H]- 371.03779 186.3
[M+NH4]+ 390.07889 195.5
[M+K]+ 411.00823 183.1
[M+H-H2O]+ 355.04233 175.9
[M+HCOO]- 417.04327 187.5
[M+CH3COO]- 431.05892 213.4
[M+Na-2H]- 393.01974 183.4
[M]+ 372.04452 188.4
[M]- 372.04562 188.4
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.