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]+ 373.052346 181.7
[M+Na]+ 395.034288 189.7
[M-H]- 371.037794 186.3
[M+NH4]+ 390.078893 195.5
[M+K]+ 411.008228 183.1
[M+H-H2O]+ 355.042330 175.9
[M+HCOO]- 417.043271 187.5
[M+CH3COO]- 431.058921 213.4
[M+Na-2H]- 393.019736 183.4
[M]+ 372.04452142 188.4
[M]- 372.04561858 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

literature stripe

Patent stripe

patents stripe