CID 214769

2-(p-ethoxyphenyl)-2-(p-propoxyphenyl)-1,1,1-trichloroethane

Structural Information

Molecular Formula
C19H21Cl3O2
SMILES
CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(Cl)(Cl)Cl
InChI
InChI=1S/C19H21Cl3O2/c1-3-13-24-17-11-7-15(8-12-17)18(19(20,21)22)14-5-9-16(10-6-14)23-4-2/h5-12,18H,3-4,13H2,1-2H3
InChIKey
ACORRYZQMFGACZ-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2,2,2-trichloro-1-(4-propoxyphenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.0607 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.067976 186.2
[M+Na]+ 409.049918 193.9
[M-H]- 385.053424 190.6
[M+NH4]+ 404.094523 199.5
[M+K]+ 425.023858 187.0
[M+H-H2O]+ 369.057960 180.2
[M+HCOO]- 431.058901 191.8
[M+CH3COO]- 445.074551 216.2
[M+Na-2H]- 407.035366 187.5
[M]+ 386.06015142 193.3
[M]- 386.06124858 193.3
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.