CID 20327

1,1,1-trichloro-2,2-bis(p-propoxyphenyl)ethane

Structural Information

Molecular Formula
C20H23Cl3O2
SMILES
CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCCC)C(Cl)(Cl)Cl
InChI
InChI=1S/C20H23Cl3O2/c1-3-13-24-17-9-5-15(6-10-17)19(20(21,22)23)16-7-11-18(12-8-16)25-14-4-2/h5-12,19H,3-4,13-14H2,1-2H3
InChIKey
MXJPGMXPKMPPGD-UHFFFAOYSA-N
Compound name
1-propoxy-4-[2,2,2-trichloro-1-(4-propoxyphenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.07635 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.08363 194.2
[M+Na]+ 423.06557 209.4
[M+NH4]+ 418.11017 202.4
[M+K]+ 439.03951 199.3
[M-H]- 399.06907 197.7
[M+Na-2H]- 421.05102 201.8
[M]+ 400.07580 198.6
[M]- 400.07690 198.6
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.